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Benzenesulfonamide, N-[3-(2,13-dioxoazacyclohexadec-1-yl)propyl]-4-methyl-N-[4-[[(4-methy lphenyl)sulfonyl]amino]butyl]-
SpectraBase Compound ID 9aVew4SBzC7
InChI InChI=1S/C36H55N3O6S2/c1-31-18-22-34(23-19-31)46(42,43)37-26-11-12-29-39(47(44,45)35-24-20-32(2)21-25-35)30-14-28-38-27-13-16-33(40)15-9-7-5-3-4-6-8-10-17-36(38)41/h18-25,37H,3-17,26-30H2,1-2H3
InChIKey MDKMOBIBZTXQLP-UHFFFAOYSA-N
Mol Weight 690.0 g/mol
Molecular Formula C36H55N3O6S2
Exact Mass 689.353229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BOOSZOkPHt0
Name Benzenesulfonamide, N-[3-(2,13-dioxoazacyclohexadec-1-yl)propyl]-4-methyl-N-[4-[[(4-methy lphenyl)sulfonyl]amino]butyl]-
CAS Registry Number 96624-96-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H55N3O6S2
InChI InChI=1S/C36H55N3O6S2/c1-31-18-22-34(23-19-31)46(42,43)37-26-11-12-29-39(47(44,45)35-24-20-32(2)21-25-35)30-14-28-38-27-13-16-33(40)15-9-7-5-3-4-6-8-10-17-36(38)41/h18-25,37H,3-17,26-30H2,1-2H3
InChIKey MDKMOBIBZTXQLP-UHFFFAOYSA-N
Molecular Weight 689.971 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)CCCCN(S(c1ccc(cc1)C)(=O)=O)CCCN1C(=O)CCCCCCCCCCC(=O)CCC1
SPLASH splash10-05ai-9130040000-4c879c9a8913ba795cbf
Source of Spectrum H-67-2184-0
Synonyms 12-oxo-N-[4-tosyl-8-(tosylamino)-4-azaoctyl]-15-pentadecanlactam Azacyclohexadecane, benzenesulfonamide deriv. N-[3-(2,13-dioxoazacyclohexadecan-1-yl)propyl]-4-methyl-N-(4-{[(4-methylphenyl)sulfonyl]amino}butyl)benzenesulfonamide
Wiley ID 1414642