[2-azanyl-1-[4-fluoranyl-2-(trifluoromethyl)phenyl]-2-oxidanylidene-ethyl] 4-methylbenzenesulfonate

Systemtic Name: [2-azanyl-1-[4-fluoranyl-2-(trifluoromethyl)phenyl]-2-oxidanylidene-ethyl] 4-methylbenzenesulfonate Openeye Name: [2-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-oxo-ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-oxoethyl] ester IUPAC Name: [2-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-oxoethyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-keto-ethyl] ester Formula: C16H13F4NO4S MolecularWeight: 391.337333

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C2=C(C=C(C=C2)F)C(F)(F)F)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(C2=C(C=C(C=C2)F)C(F)(F)F)C(=O)N

InChI

InChI=1S/C16H13F4NO4S/c1-9-2-5-11(6-3-9)26(23,24)25-14(15(21)22)12-7-4-10(17)8-13(12)16(18,19)20/h2-8,14H,1H3,(H2,21,22)