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Benzenesulfonamide, N-[3-[(3-aminopropyl)[(4-methylphenyl)sulfonyl]amino]propyl]-4-methyl-N-[3-[[(4-methylphenyl)sulfonyl][3-[[(4-methylphenyl)sulfonyl][3-(2-oxoazacyclotridec-1-yl)propyl]amino]propyl]amino]propyl]-

View entire compound with spectra: 1 MS (GC)

Benzenesulfonamide, N-[3-[(3-aminopropyl)[(4-methylphenyl)sulfonyl]amino]propyl]-4-methyl-N-[3-[[(4-methylphenyl)sulfonyl][3-[[(4-methylphenyl)sulfonyl][3-(2-oxoazacyclotridec-1-yl)propyl]amino]propyl]amino]propyl]-
SpectraBase Compound ID Icvjun43MlM
InChI InChI=1S/C55H82N6O9S4/c1-47-20-28-51(29-21-47)71(63,64)58(39-14-36-56)41-16-43-60(73(67,68)53-32-24-49(3)25-33-53)45-18-46-61(74(69,70)54-34-26-50(4)27-35-54)44-17-42-59(72(65,66)52-30-22-48(2)23-31-52)40-15-38-57-37-13-11-9-7-5-6-8-10-12-19-55(57)62/h20-35H,5-19,36-46,56H2,1-4H3
InChIKey MLGRXXYYMANDCC-UHFFFAOYSA-N
Mol Weight 1099.5 g/mol
Molecular Formula C55H82N6O9S4
Exact Mass 1098.502613 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KTKBa8FDg1i
Name Benzenesulfonamide, N-[3-[(3-aminopropyl)[(4-methylphenyl)sulfonyl]amino]propyl]-4-methyl-N-[3-[[(4-methylphenyl)sulfonyl][3-[[(4-methylphenyl)sulfonyl][3-(2-oxoazacyclotridec-1-yl)propyl]amino]propyl]amino]propyl]-
CAS Registry Number 75422-09-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C55H82N6O9S4
InChI InChI=1S/C55H82N6O9S4/c1-47-20-28-51(29-21-47)71(63,64)58(39-14-36-56)41-16-43-60(73(67,68)53-32-24-49(3)25-33-53)45-18-46-61(74(69,70)54-34-26-50(4)27-35-54)44-17-42-59(72(65,66)52-30-22-48(2)23-31-52)40-15-38-57-37-13-11-9-7-5-6-8-10-12-19-55(57)62/h20-35H,5-19,36-46,56H2,1-4H3
InChIKey MLGRXXYYMANDCC-UHFFFAOYSA-N
Molecular Weight 1099.534 g/mol
SMILES NCCCN(CCCN(CCCN(CCCN(CCCN1CCCCCCCCCCCC1=O)S(c1ccc(C)cc1)(=O)=O)S(c1ccc(C)cc1)(=O)=O)S(c1ccc(C)cc1)(=O)=O)S(c1ccc(C)cc1)(=O)=O
SPLASH splash10-0006-5490100000-7fe020fa87d6184b4a82
Source of Spectrum W5-38747-26789-26789
Synonyms N-(3-((3-((3-Aminopropyl)[(4-methylphenyl)sulfonyl]amino)propyl)[(4-methylphenyl)sulfonyl]amino)propyl)-4-methyl-N-(3-([(4-methylphenyl)sulfonyl][3-(2-oxoazacyclotridecan-1-yl)propyl]amino)propyl)benz N-(3-aminopropyl)-4-methyl-N-[3-[(4-methylphenyl)sulfonyl-[3-[(4-methylphenyl)sulfonyl-[3-[(4-methylphenyl)sulfonyl-[3-(2-oxo-azacyclotridec-1-yl)propyl]amino]propyl]amino]propyl]amino]propyl]benzenesulfonamide N-(3-aminopropyl)-4-methyl-N-[3-[3-[3-[3-(2-oxo-azacyclotridec-1-yl)propyl-(p-tolylsulfonyl)amino]propyl-(p-tolylsulfonyl)amino]propyl-(p-tolylsulfonyl)amino]propyl]benzenesulfonamide N-(3-aminopropyl)-N-[3-[3-[3-[3-(2-keto-azacyclotridec-1-yl)propyl-tosyl-amino]propyl-tosyl-amino]propyl-tosyl-amino]propyl]-4-methyl-benzenesulfonamide N-(3-azanylpropyl)-4-methyl-N-[3-[(4-methylphenyl)sulfonyl-[3-[(4-methylphenyl)sulfonyl-[3-[(4-methylphenyl)sulfonyl-[3-(2-oxidanylidene-1-azacyclotridec-1-yl)propyl]amino]propyl]amino]propyl]amino]propyl]benzenesulfonamide
Wiley ID 1418573