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

Systemtic Name: 4-[(4-methyl-1,4-diazepan-4-ium-1-yl)carbonyl]-N-(4-methylphenyl)benzenesulfonamide Openeye Name: 4-(4-methyl-1,4-diazepan-4-ium-1-carbonyl)-N-(p-tolyl)benzenesulfonamide CAS Name: 4-[(4-methyl-1,4-diazepan-4-ium-1-yl)-oxomethyl]-N-(4-methylphenyl)benzenesulfonamide IUPAC Name: 4-(4-methyl-1,4-diazepan-4-ium-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide Traditional Name: 4-(4-methyl-1,4-diazepan-4-ium-1-carbonyl)-N-(p-tolyl)benzenesulfonamide Formula: C20H26N3O3S+ MolecularWeight: 388.50374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O3S/c1-16-4-8-18(9-5-16)21-27(25,26)19-10-6-17(7-11-19)20(24)23-13-3-12-22(2)14-15-23/h4-11,21H,3,12-15H2,1-2H3/p+1