[2-[[3,5-bis(chloranyl)phenyl]amino]-2-oxidanylidene-1-phenyl-ethyl] 4-methylsulfonyl-3-nitro-benzoate

Systemtic Name: [2-[[3,5-bis(chloranyl)phenyl]amino]-2-oxidanylidene-1-phenyl-ethyl] 4-methylsulfonyl-3-nitro-benzoate Openeye Name: [2-(3,5-dichloroanilino)-2-oxo-1-phenyl-ethyl] 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid [2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl] 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid [2-(3,5-dichloroanilino)-2-keto-1-phenyl-ethyl] ester Formula: C22H16Cl2N2O7S MolecularWeight: 523.34264

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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=CC(=CC(=C3)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H16Cl2N2O7S/c1-34(31,32)19-8-7-14(9-18(19)26(29)30)22(28)33-20(13-5-3-2-4-6-13)21(27)25-17-11-15(23)10-16(24)12-17/h2-12,20H,1H3,(H,25,27)