N-methyl-3-nitro-4-phenylsulfanyl-benzenesulfonamide

Systemtic Name: N-methyl-3-nitro-4-phenylsulfanyl-benzenesulfonamide Openeye Name: N-methyl-3-nitro-4-phenylsulfanyl-benzenesulfonamide CAS Name: N-methyl-3-nitro-4-(phenylthio)benzenesulfonamide IUPAC Name: N-methyl-3-nitro-4-phenylsulfanylbenzenesulfonamide Traditional Name: N-methyl-3-nitro-4-(phenylthio)benzenesulfonamide Formula: C13H12N2O4S2 MolecularWeight: 324.37538

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC(=C(C=C1)SC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CNS(=O)(=O)C1=CC(=C(C=C1)SC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H12N2O4S2/c1-14-21(18,19)11-7-8-13(12(9-11)15(16)17)20-10-5-3-2-4-6-10/h2-9,14H,1H3