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

Systemtic Name: methyl 2-[4-[[4-(trifluoromethyl)phenyl]carbamoyl]piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-[[4-(trifluoromethyl)phenyl]carbamoyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-[oxo-[4-(trifluoromethyl)anilino]methyl]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[[4-(trifluoromethyl)phenyl]carbamoyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-[[4-(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=C(C=C3)C(F)(F)F

Isomeric SMILES

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

InChI

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