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

Systemtic Name: 2-methoxy-N-(4-methylphenyl)-5-[(4-methylsulfonyl-1,4-diazepan-1-yl)carbonyl]benzenesulfonamide Openeye Name: 2-methoxy-5-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)-N-(p-tolyl)benzenesulfonamide CAS Name: 2-methoxy-N-(4-methylphenyl)-5-[(4-methylsulfonyl-1,4-diazepan-1-yl)-oxomethyl]benzenesulfonamide IUPAC Name: 2-methoxy-N-(4-methylphenyl)-5-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)benzenesulfonamide Traditional Name: 5-(4-mesyl-1,4-diazepane-1-carbonyl)-2-methoxy-N-(p-tolyl)benzenesulfonamide Formula: C21H27N3O6S2 MolecularWeight: 481.58558

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O6S2/c1-16-5-8-18(9-6-16)22-32(28,29)20-15-17(7-10-19(20)30-2)21(25)23-11-4-12-24(14-13-23)31(3,26)27/h5-10,15,22H,4,11-14H2,1-3H3