[4-(4-cyanophenyl)phenyl] 2-(4-methylsulfonyl-2-nitro-phenyl)sulfanylethanoate

Systemtic Name: [4-(4-cyanophenyl)phenyl] 2-(4-methylsulfonyl-2-nitro-phenyl)sulfanylethanoate Openeye Name: [4-(4-cyanophenyl)phenyl] 2-(4-methylsulfonyl-2-nitro-phenyl)sulfanylacetate CAS Name: 2-[(4-methylsulfonyl-2-nitrophenyl)thio]acetic acid [4-(4-cyanophenyl)phenyl] ester IUPAC Name: [4-(4-cyanophenyl)phenyl] 2-(4-methylsulfonyl-2-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-mesyl-2-nitro-phenyl)thio]acetic acid [4-(4-cyanophenyl)phenyl] ester Formula: C22H16N2O6S2 MolecularWeight: 468.50224

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)SCC(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)SCC(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C22H16N2O6S2/c1-32(28,29)19-10-11-21(20(12-19)24(26)27)31-14-22(25)30-18-8-6-17(7-9-18)16-4-2-15(13-23)3-5-16/h2-12H,14H2,1H3