[3-(trifluoromethyl)phenyl]methyl 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate

Systemtic Name: [3-(trifluoromethyl)phenyl]methyl 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate Openeye Name: [3-(trifluoromethyl)phenyl]methyl 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]acetate CAS Name: 2-[[4-(methylthio)-3-nitrophenyl]sulfonylamino]acetic acid [3-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [3-(trifluoromethyl)phenyl]methyl 2-[(4-methylsulfanyl-3-nitrophenyl)sulfonylamino]acetate Traditional Name: 2-[[4-(methylthio)-3-nitro-phenyl]sulfonylamino]acetic acid [3-(trifluoromethyl)benzyl] ester Formula: C17H15F3N2O6S2 MolecularWeight: 464.43601

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC2=CC(=CC=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC2=CC(=CC=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H15F3N2O6S2/c1-29-15-6-5-13(8-14(15)22(24)25)30(26,27)21-9-16(23)28-10-11-3-2-4-12(7-11)17(18,19)20/h2-8,21H,9-10H2,1H3