methyl 2-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]piperidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-[[3-(trifluoromethyl)phenyl]carbamoyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-[oxo-[3-(trifluoromethyl)anilino]methyl]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]piperidino]sulfonylbenzoic acid methyl ester Formula: C21H21F3N2O5S MolecularWeight: 470.46205

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C21H21F3N2O5S/c1-31-20(28)17-7-2-3-8-18(17)32(29,30)26-11-9-14(10-12-26)19(27)25-16-6-4-5-15(13-16)21(22,23)24/h2-8,13-14H,9-12H2,1H3,(H,25,27)