2-(4-chlorophenyl)sulfanyl-N-[[2-(methylsulfonylamino)phenyl]methyl]-5-nitro-benzamide

Systemtic Name: 2-(4-chlorophenyl)sulfanyl-N-[[2-(methylsulfonylamino)phenyl]methyl]-5-nitro-benzamide Openeye Name: 2-(4-chlorophenyl)sulfanyl-N-[[2-(methanesulfonamido)phenyl]methyl]-5-nitro-benzamide CAS Name: 2-[(4-chlorophenyl)thio]-N-[[2-(methanesulfonamido)phenyl]methyl]-5-nitrobenzamide IUPAC Name: 2-(4-chlorophenyl)sulfanyl-N-[[2-(methanesulfonamido)phenyl]methyl]-5-nitrobenzamide Traditional Name: 2-[(4-chlorophenyl)thio]-N-[2-(methanesulfonamido)benzyl]-5-nitro-benzamide Formula: C21H18ClN3O5S2 MolecularWeight: 491.96772

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC=CC=C1CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=C(C=C3)Cl

Isomeric SMILES

CS(=O)(=O)NC1=CC=CC=C1CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H18ClN3O5S2/c1-32(29,30)24-19-5-3-2-4-14(19)13-23-21(26)18-12-16(25(27)28)8-11-20(18)31-17-9-6-15(22)7-10-17/h2-12,24H,13H2,1H3,(H,23,26)