[2-(4-chlorophenyl)-2-oxidanylidene-ethyl] 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate

Systemtic Name: [2-(4-chlorophenyl)-2-oxidanylidene-ethyl] 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate Openeye Name: [2-(4-chlorophenyl)-2-oxo-ethyl] 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]acetate CAS Name: 2-[[4-(methylthio)-3-nitrophenyl]sulfonylamino]acetic acid [2-(4-chlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-chlorophenyl)-2-oxoethyl] 2-[(4-methylsulfanyl-3-nitrophenyl)sulfonylamino]acetate Traditional Name: 2-[[4-(methylthio)-3-nitro-phenyl]sulfonylamino]acetic acid [2-(4-chlorophenyl)-2-keto-ethyl] ester Formula: C17H15ClN2O7S2 MolecularWeight: 458.8932

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)C2=CC=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)C2=CC=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H15ClN2O7S2/c1-28-16-7-6-13(8-14(16)20(23)24)29(25,26)19-9-17(22)27-10-15(21)11-2-4-12(18)5-3-11/h2-8,19H,9-10H2,1H3