N-(2,3-dimethylphenyl)-4-[[4-(phenylmethyl)-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide

Systemtic Name: N-(2,3-dimethylphenyl)-4-[[4-(phenylmethyl)-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide Openeye Name: 4-(4-benzyl-1,4-diazepane-1-carbonyl)-N-(2,3-dimethylphenyl)benzenesulfonamide CAS Name: N-(2,3-dimethylphenyl)-4-[oxo-[4-(phenylmethyl)-1,4-diazepan-1-yl]methyl]benzenesulfonamide IUPAC Name: 4-(4-benzyl-1,4-diazepane-1-carbonyl)-N-(2,3-dimethylphenyl)benzenesulfonamide Traditional Name: 4-(4-benzyl-1,4-diazepane-1-carbonyl)-N-(2,3-dimethylphenyl)benzenesulfonamide Formula: C27H31N3O3S MolecularWeight: 477.61834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCCN(CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C(=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCCN(CC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C27H31N3O3S/c1-21-8-6-11-26(22(21)2)28-34(32,33)25-14-12-24(13-15-25)27(31)30-17-7-16-29(18-19-30)20-23-9-4-3-5-10-23/h3-6,8-15,28H,7,16-20H2,1-2H3