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Benzenesulfonamide, N-[3-(2,14-dioxoazacycloheptadec-1-yl)propyl]-4-methyl-N-[4-[[(4-methylphenyl)sulfonyl]amino]butyl]-
SpectraBase Compound ID HCUvVPPEfZ5
InChI InChI=1S/C37H57N3O6S2/c1-32-19-23-35(24-20-32)47(43,44)38-27-12-13-30-40(48(45,46)36-25-21-33(2)22-26-36)31-15-29-39-28-14-17-34(41)16-10-8-6-4-3-5-7-9-11-18-37(39)42/h19-26,38H,3-18,27-31H2,1-2H3
InChIKey CFMKSNCFNMTNGM-UHFFFAOYSA-N
Mol Weight 704.0 g/mol
Molecular Formula C37H57N3O6S2
Exact Mass 703.368879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GAfmbMDfLSG
Name Benzenesulfonamide, N-[3-(2,14-dioxoazacycloheptadec-1-yl)propyl]-4-methyl-N-[4-[[(4-methylphenyl)sulfonyl]amino]butyl]-
Alternate Name(s) 13-oxo-N-[4-tosyl-8-(tosylamino)-4-azaoctyl]-16-hexadecanlactam Azacycloheptadecane, benzenesulfonamide deriv. N-[3-(2,14-dioxoazacycloheptadecan-1-yl)propyl]-4-methyl-N-(4-{[(4-methylphenyl)sulfonyl]amino}butyl)benzenesulfonamide
CAS Registry Number 91652-53-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H57N3O6S2
InChI InChI=1S/C37H57N3O6S2/c1-32-19-23-35(24-20-32)47(43,44)38-27-12-13-30-40(48(45,46)36-25-21-33(2)22-26-36)31-15-29-39-28-14-17-34(41)16-10-8-6-4-3-5-7-9-11-18-37(39)42/h19-26,38H,3-18,27-31H2,1-2H3
InChIKey CFMKSNCFNMTNGM-UHFFFAOYSA-N
Molecular Weight 703.998 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)CCCCN(S(c1ccc(cc1)C)(=O)=O)CCCN1C(=O)CCCCCCCCCCCC(=O)CCC1
SPLASH splash10-05ai-9160000000-9ff608f2b7ea57c598fe
Source of Spectrum H-67-2182-0
Wiley ID 1415132