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

Systemtic Name: 4-chloranyl-N-[(3-chloranyl-4-methoxy-phenyl)methyl]-N-(2-oxidanylideneazepan-3-yl)benzenesulfonamide Openeye Name: 4-chloro-N-[(3-chloro-4-methoxy-phenyl)methyl]-N-(2-oxoazepan-3-yl)benzenesulfonamide CAS Name: 4-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-N-(2-oxo-3-azepanyl)benzenesulfonamide IUPAC Name: 4-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-N-(2-oxoazepan-3-yl)benzenesulfonamide Traditional Name: 4-chloro-N-(3-chloro-4-methoxy-benzyl)-N-(2-ketoazepan-3-yl)benzenesulfonamide Formula: C20H22Cl2N2O4S MolecularWeight: 457.37068

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(C2CCCCNC2=O)S(=O)(=O)C3=CC=C(C=C3)Cl)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CN(C2CCCCNC2=O)S(=O)(=O)C3=CC=C(C=C3)Cl)Cl

InChI

InChI=1S/C20H22Cl2N2O4S/c1-28-19-10-5-14(12-17(19)22)13-24(18-4-2-3-11-23-20(18)25)29(26,27)16-8-6-15(21)7-9-16/h5-10,12,18H,2-4,11,13H2,1H3,(H,23,25)