N-[(4-methylsulfanylphenyl)methyl]-2-nitro-benzenesulfonamide

Systemtic Name: N-[(4-methylsulfanylphenyl)methyl]-2-nitro-benzenesulfonamide Openeye Name: N-[(4-methylsulfanylphenyl)methyl]-2-nitro-benzenesulfonamide CAS Name: N-[[4-(methylthio)phenyl]methyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[(4-methylsulfanylphenyl)methyl]-2-nitrobenzenesulfonamide Traditional Name: N-[4-(methylthio)benzyl]-2-nitro-benzenesulfonamide Formula: C14H14N2O4S2 MolecularWeight: 338.40196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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