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

Systemtic Name: N-(2-methylphenyl)-4-[(4-methylsulfonyl-1,4-diazepan-1-yl)carbonyl]benzenesulfonamide Openeye Name: 4-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)-N-(o-tolyl)benzenesulfonamide CAS Name: N-(2-methylphenyl)-4-[(4-methylsulfonyl-1,4-diazepan-1-yl)-oxomethyl]benzenesulfonamide IUPAC Name: N-(2-methylphenyl)-4-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)benzenesulfonamide Traditional Name: 4-(4-mesyl-1,4-diazepane-1-carbonyl)-N-(o-tolyl)benzenesulfonamide Formula: C20H25N3O5S2 MolecularWeight: 451.5596

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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)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C20H25N3O5S2/c1-16-6-3-4-7-19(16)21-30(27,28)18-10-8-17(9-11-18)20(24)22-12-5-13-23(15-14-22)29(2,25)26/h3-4,6-11,21H,5,12-15H2,1-2H3