4-methyl-N-(4-methylphenyl)-3-[[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]carbonyl]benzenesulfonamide

Systemtic Name: 4-methyl-N-(4-methylphenyl)-3-[[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]carbonyl]benzenesulfonamide Openeye Name: 3-(4-benzyl-1,4-diazepan-4-ium-1-carbonyl)-4-methyl-N-(p-tolyl)benzenesulfonamide CAS Name: 4-methyl-N-(4-methylphenyl)-3-[oxo-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]methyl]benzenesulfonamide IUPAC Name: 3-(4-benzyl-1,4-diazepan-4-ium-1-carbonyl)-4-methyl-N-(4-methylphenyl)benzenesulfonamide Traditional Name: 3-(4-benzyl-1,4-diazepan-4-ium-1-carbonyl)-4-methyl-N-(p-tolyl)benzenesulfonamide Formula: C27H32N3O3S+ MolecularWeight: 478.62628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)C)C(=O)N3CCC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)C)C(=O)N3CCC[NH+](CC3)CC4=CC=CC=C4

InChI

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