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

Systemtic Name: methyl 2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-[oxo-[[3-(trifluoromethyl)phenyl]methylamino]methyl]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-[[3-(trifluoromethyl)benzyl]carbamoyl]piperidino]sulfonylbenzoic acid methyl ester Formula: C22H23F3N2O5S MolecularWeight: 484.48863

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C22H23F3N2O5S/c1-32-21(29)18-7-2-3-8-19(18)33(30,31)27-11-9-16(10-12-27)20(28)26-14-15-5-4-6-17(13-15)22(23,24)25/h2-8,13,16H,9-12,14H2,1H3,(H,26,28)