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

Systemtic Name: 4-chloranyl-N-[(4-methylsulfanylphenyl)methyl]-N-(2-oxidanylideneazepan-3-yl)benzenesulfonamide Openeye Name: 4-chloro-N-[(4-methylsulfanylphenyl)methyl]-N-(2-oxoazepan-3-yl)benzenesulfonamide CAS Name: 4-chloro-N-[[4-(methylthio)phenyl]methyl]-N-(2-oxo-3-azepanyl)benzenesulfonamide IUPAC Name: 4-chloro-N-[(4-methylsulfanylphenyl)methyl]-N-(2-oxoazepan-3-yl)benzenesulfonamide Traditional Name: 4-chloro-N-(2-ketoazepan-3-yl)-N-[4-(methylthio)benzyl]benzenesulfonamide Formula: C20H23ClN2O3S2 MolecularWeight: 438.99122

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CN(C2CCCCNC2=O)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CSC1=CC=C(C=C1)CN(C2CCCCNC2=O)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H23ClN2O3S2/c1-27-17-9-5-15(6-10-17)14-23(19-4-2-3-13-22-20(19)24)28(25,26)18-11-7-16(21)8-12-18/h5-12,19H,2-4,13-14H2,1H3,(H,22,24)