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

Systemtic Name: 4-methoxy-N-(3-methylsulfanylphenyl)-3-nitro-benzenesulfonamide Openeye Name: 4-methoxy-N-(3-methylsulfanylphenyl)-3-nitro-benzenesulfonamide CAS Name: 4-methoxy-N-[3-(methylthio)phenyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-methoxy-N-(3-methylsulfanylphenyl)-3-nitrobenzenesulfonamide Traditional Name: 4-methoxy-N-[3-(methylthio)phenyl]-3-nitro-benzenesulfonamide Formula: C14H14N2O5S2 MolecularWeight: 354.40136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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