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

Systemtic Name: N-butan-2-yl-4-[[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide Openeye Name: 4-[4-(o-tolylmethyl)-1,4-diazepane-1-carbonyl]-N-sec-butyl-benzenesulfonamide CAS Name: N-butan-2-yl-4-[[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-oxomethyl]benzenesulfonamide IUPAC Name: N-butan-2-yl-4-[4-[(2-methylphenyl)methyl]-1,4-diazepane-1-carbonyl]benzenesulfonamide Traditional Name: 4-[4-(2-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=CC=C3C

Isomeric SMILES

CCC(C)NS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCCN(CC2)CC3=CC=CC=C3C

InChI

InChI=1S/C24H33N3O3S/c1-4-20(3)25-31(29,30)23-12-10-21(11-13-23)24(28)27-15-7-14-26(16-17-27)18-22-9-6-5-8-19(22)2/h5-6,8-13,20,25H,4,7,14-18H2,1-3H3