2-methoxy-N-(3-methylsulfanylphenyl)-5-nitro-benzenesulfonamide

Systemtic Name: 2-methoxy-N-(3-methylsulfanylphenyl)-5-nitro-benzenesulfonamide Openeye Name: 2-methoxy-N-(3-methylsulfanylphenyl)-5-nitro-benzenesulfonamide CAS Name: 2-methoxy-N-[3-(methylthio)phenyl]-5-nitrobenzenesulfonamide IUPAC Name: 2-methoxy-N-(3-methylsulfanylphenyl)-5-nitrobenzenesulfonamide Traditional Name: 2-methoxy-N-[3-(methylthio)phenyl]-5-nitro-benzenesulfonamide Formula: C14H14N2O5S2 MolecularWeight: 354.40136

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC(=CC=C2)SC

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC(=CC=C2)SC

InChI

InChI=1S/C14H14N2O5S2/c1-21-13-7-6-11(16(17)18)9-14(13)23(19,20)15-10-4-3-5-12(8-10)22-2/h3-9,15H,1-2H3