N-methyl-3-nitro-4-(phenylmethylsulfanyl)benzenesulfonamide

Systemtic Name: N-methyl-3-nitro-4-(phenylmethylsulfanyl)benzenesulfonamide Openeye Name: 4-benzylsulfanyl-N-methyl-3-nitro-benzenesulfonamide CAS Name: N-methyl-3-nitro-4-(phenylmethylthio)benzenesulfonamide IUPAC Name: 4-benzylsulfanyl-N-methyl-3-nitrobenzenesulfonamide Traditional Name: 4-(benzylthio)-N-methyl-3-nitro-benzenesulfonamide Formula: C14H14N2O4S2 MolecularWeight: 338.40196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC(=C(C=C1)SCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CNS(=O)(=O)C1=CC(=C(C=C1)SCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H14N2O4S2/c1-15-22(19,20)12-7-8-14(13(9-12)16(17)18)21-10-11-5-3-2-4-6-11/h2-9,15H,10H2,1H3