N-butan-2-yl-4-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide

Systemtic Name: N-butan-2-yl-4-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide Openeye Name: 4-[4-(p-tolylmethyl)-1,4-diazepane-1-carbonyl]-N-sec-butyl-benzenesulfonamide CAS Name: N-butan-2-yl-4-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-oxomethyl]benzenesulfonamide IUPAC Name: N-butan-2-yl-4-[4-[(4-methylphenyl)methyl]-1,4-diazepane-1-carbonyl]benzenesulfonamide Traditional Name: 4-[4-(4-methylbenzyl)-1,4-diazepane-1-carbonyl]-N-sec-butyl-benzenesulfonamide Formula: C24H33N3O3S MolecularWeight: 443.60212

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)C

Isomeric SMILES

CCC(C)NS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)C

InChI

InChI=1S/C24H33N3O3S/c1-4-20(3)25-31(29,30)23-12-10-22(11-13-23)24(28)27-15-5-14-26(16-17-27)18-21-8-6-19(2)7-9-21/h6-13,20,25H,4-5,14-18H2,1-3H3