[2-[[4-chloranyl-2-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-1-phenyl-ethyl] 4-methylsulfonyl-3-nitro-benzoate

Systemtic Name: [2-[[4-chloranyl-2-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-1-phenyl-ethyl] 4-methylsulfonyl-3-nitro-benzoate Openeye Name: [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-1-phenyl-ethyl] 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] ester IUPAC Name: [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid [2-[4-chloro-2-(trifluoromethyl)anilino]-2-keto-1-phenyl-ethyl] ester Formula: C23H16ClF3N2O7S MolecularWeight: 556.89555

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OC(C2=CC=CC=C2)C(=O)NC3=C(C=C(C=C3)Cl)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OC(C2=CC=CC=C2)C(=O)NC3=C(C=C(C=C3)Cl)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C23H16ClF3N2O7S/c1-37(34,35)19-10-7-14(11-18(19)29(32)33)22(31)36-20(13-5-3-2-4-6-13)21(30)28-17-9-8-15(24)12-16(17)23(25,26)27/h2-12,20H,1H3,(H,28,30)