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

Systemtic Name: [2-[(3-chlorophenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate Openeye Name: [2-(3-chloroanilino)-2-oxo-ethyl] 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]acetate CAS Name: 2-[[4-(methylthio)-3-nitrophenyl]sulfonylamino]acetic acid [2-(3-chloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloroanilino)-2-oxoethyl] 2-[(4-methylsulfanyl-3-nitrophenyl)sulfonylamino]acetate Traditional Name: 2-[[4-(methylthio)-3-nitro-phenyl]sulfonylamino]acetic acid [2-(3-chloroanilino)-2-keto-ethyl] ester Formula: C17H16ClN3O7S2 MolecularWeight: 473.90784

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)NC2=CC(=CC=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)NC2=CC(=CC=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H16ClN3O7S2/c1-29-15-6-5-13(8-14(15)21(24)25)30(26,27)19-9-17(23)28-10-16(22)20-12-4-2-3-11(18)7-12/h2-8,19H,9-10H2,1H3,(H,20,22)