N-(3-methylsulfanylphenyl)-4-nitro-benzenesulfonamide

Systemtic Name: N-(3-methylsulfanylphenyl)-4-nitro-benzenesulfonamide Openeye Name: N-(3-methylsulfanylphenyl)-4-nitro-benzenesulfonamide CAS Name: N-[3-(methylthio)phenyl]-4-nitrobenzenesulfonamide IUPAC Name: N-(3-methylsulfanylphenyl)-4-nitrobenzenesulfonamide Traditional Name: N-[3-(methylthio)phenyl]-4-nitro-benzenesulfonamide Formula: C13H12N2O4S2 MolecularWeight: 324.37538

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

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