4-chloranyl-N-[(4-methoxy-2-methyl-phenyl)methyl]-N-(2-oxidanylideneazepan-3-yl)benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[(4-methoxy-2-methyl-phenyl)methyl]-N-(2-oxidanylideneazepan-3-yl)benzenesulfonamide Openeye Name: 4-chloro-N-[(4-methoxy-2-methyl-phenyl)methyl]-N-(2-oxoazepan-3-yl)benzenesulfonamide CAS Name: 4-chloro-N-[(4-methoxy-2-methylphenyl)methyl]-N-(2-oxo-3-azepanyl)benzenesulfonamide IUPAC Name: 4-chloro-N-[(4-methoxy-2-methylphenyl)methyl]-N-(2-oxoazepan-3-yl)benzenesulfonamide Traditional Name: 4-chloro-N-(2-ketoazepan-3-yl)-N-(4-methoxy-2-methyl-benzyl)benzenesulfonamide Formula: C21H25ClN2O4S MolecularWeight: 436.9522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC)CN(C2CCCCNC2=O)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC)CN(C2CCCCNC2=O)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H25ClN2O4S/c1-15-13-18(28-2)9-6-16(15)14-24(20-5-3-4-12-23-21(20)25)29(26,27)19-10-7-17(22)8-11-19/h6-11,13,20H,3-5,12,14H2,1-2H3,(H,23,25)