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

Systemtic Name: N-(3-methylsulfanylphenyl)-3-nitro-4-oxidanyl-benzenesulfonamide Openeye Name: 4-hydroxy-N-(3-methylsulfanylphenyl)-3-nitro-benzenesulfonamide CAS Name: 4-hydroxy-N-[3-(methylthio)phenyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-hydroxy-N-(3-methylsulfanylphenyl)-3-nitrobenzenesulfonamide Traditional Name: 4-hydroxy-N-[3-(methylthio)phenyl]-3-nitro-benzenesulfonamide Formula: C13H12N2O5S2 MolecularWeight: 340.37478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O5S2/c1-21-10-4-2-3-9(7-10)14-22(19,20)11-5-6-13(16)12(8-11)15(17)18/h2-8,14,16H,1H3