[2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 4-methylsulfonyl-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 4-methylsulfonyl-3-nitro-benzoate Openeye Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid [2-oxo-2-[2-(phenylthio)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid [2-keto-2-[2-(phenylthio)anilino]ethyl] ester Formula: C22H18N2O7S2 MolecularWeight: 486.51752

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2SC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2SC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H18N2O7S2/c1-33(29,30)20-12-11-15(13-18(20)24(27)28)22(26)31-14-21(25)23-17-9-5-6-10-19(17)32-16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,23,25)