[2-[[4-chloranyl-3-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-[[4-chloranyl-3-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxo-ethyl] 1-(2-thienylsulfonyl)piperidine-4-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-4-piperidinecarboxylic acid [2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-thienylsulfonyl)isonipecotic acid [2-[4-chloro-3-(trifluoromethyl)anilino]-2-keto-ethyl] ester Formula: C19H18ClF3N2O5S2 MolecularWeight: 510.93483

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C19H18ClF3N2O5S2/c20-15-4-3-13(10-14(15)19(21,22)23)24-16(26)11-30-18(27)12-5-7-25(8-6-12)32(28,29)17-2-1-9-31-17/h1-4,9-10,12H,5-8,11H2,(H,24,26)