2-methoxy-N-(4-methylphenyl)-5-[[4-(phenylmethyl)-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide

Systemtic Name: 2-methoxy-N-(4-methylphenyl)-5-[[4-(phenylmethyl)-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide Openeye Name: 5-(4-benzyl-1,4-diazepane-1-carbonyl)-2-methoxy-N-(p-tolyl)benzenesulfonamide CAS Name: 2-methoxy-N-(4-methylphenyl)-5-[oxo-[4-(phenylmethyl)-1,4-diazepan-1-yl]methyl]benzenesulfonamide IUPAC Name: 5-(4-benzyl-1,4-diazepane-1-carbonyl)-2-methoxy-N-(4-methylphenyl)benzenesulfonamide Traditional Name: 5-(4-benzyl-1,4-diazepane-1-carbonyl)-2-methoxy-N-(p-tolyl)benzenesulfonamide Formula: C27H31N3O4S MolecularWeight: 493.61774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31N3O4S/c1-21-9-12-24(13-10-21)28-35(32,33)26-19-23(11-14-25(26)34-2)27(31)30-16-6-15-29(17-18-30)20-22-7-4-3-5-8-22/h3-5,7-14,19,28H,6,15-18,20H2,1-2H3