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

Systemtic Name: 4-methyl-N-(3-methylsulfanylphenyl)-3-nitro-benzenesulfonamide Openeye Name: 4-methyl-N-(3-methylsulfanylphenyl)-3-nitro-benzenesulfonamide CAS Name: 4-methyl-N-[3-(methylthio)phenyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-methyl-N-(3-methylsulfanylphenyl)-3-nitrobenzenesulfonamide Traditional Name: 4-methyl-N-[3-(methylthio)phenyl]-3-nitro-benzenesulfonamide Formula: C14H14N2O4S2 MolecularWeight: 338.40196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)SC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)SC)[N+](=O)[O-]

InChI

InChI=1S/C14H14N2O4S2/c1-10-6-7-13(9-14(10)16(17)18)22(19,20)15-11-4-3-5-12(8-11)21-2/h3-9,15H,1-2H3