N-(2-methylphenyl)-4-[[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide

Systemtic Name: N-(2-methylphenyl)-4-[[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide Openeye Name: N-(o-tolyl)-4-[4-(2-thienylmethyl)-1,4-diazepane-1-carbonyl]benzenesulfonamide CAS Name: N-(2-methylphenyl)-4-[oxo-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methyl]benzenesulfonamide IUPAC Name: N-(2-methylphenyl)-4-[4-(thiophen-2-ylmethyl)-1,4-diazepane-1-carbonyl]benzenesulfonamide Traditional Name: N-(o-tolyl)-4-[4-(2-thenyl)-1,4-diazepane-1-carbonyl]benzenesulfonamide Formula: C24H27N3O3S2 MolecularWeight: 469.61948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCCN(CC3)CC4=CC=CS4

Isomeric SMILES

CC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCCN(CC3)CC4=CC=CS4

InChI

InChI=1S/C24H27N3O3S2/c1-19-6-2-3-8-23(19)25-32(29,30)22-11-9-20(10-12-22)24(28)27-14-5-13-26(15-16-27)18-21-7-4-17-31-21/h2-4,6-12,17,25H,5,13-16,18H2,1H3