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

Systemtic Name: 2-methyl-N-(4-methylphenyl)-5-[(4-methylsulfonyl-1,4-diazepan-1-yl)carbonyl]benzenesulfonamide Openeye Name: 2-methyl-5-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)-N-(p-tolyl)benzenesulfonamide CAS Name: 2-methyl-N-(4-methylphenyl)-5-[(4-methylsulfonyl-1,4-diazepan-1-yl)-oxomethyl]benzenesulfonamide IUPAC Name: 2-methyl-N-(4-methylphenyl)-5-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)benzenesulfonamide Traditional Name: 5-(4-mesyl-1,4-diazepane-1-carbonyl)-2-methyl-N-(p-tolyl)benzenesulfonamide Formula: C21H27N3O5S2 MolecularWeight: 465.58618

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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)S(=O)(=O)C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O5S2/c1-16-5-9-19(10-6-16)22-31(28,29)20-15-18(8-7-17(20)2)21(25)23-11-4-12-24(14-13-23)30(3,26)27/h5-10,15,22H,4,11-14H2,1-3H3