propan-2-yl 5-cyano-2-methyl-6-[4-[[4-(trifluoromethyl)phenyl]methylsulfonylcarbamoyl]piperidin-1-yl]pyridine-3-carboxylate

Systemtic Name: propan-2-yl 5-cyano-2-methyl-6-[4-[[4-(trifluoromethyl)phenyl]methylsulfonylcarbamoyl]piperidin-1-yl]pyridine-3-carboxylate Openeye Name: isopropyl 5-cyano-2-methyl-6-[4-[[4-(trifluoromethyl)phenyl]methylsulfonylcarbamoyl]-1-piperidyl]pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[4-[oxo-[[4-(trifluoromethyl)phenyl]methylsulfonylamino]methyl]-1-piperidinyl]-3-pyridinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-cyano-2-methyl-6-[4-[[4-(trifluoromethyl)phenyl]methylsulfonylcarbamoyl]piperidin-1-yl]pyridine-3-carboxylate Traditional Name: 5-cyano-2-methyl-6-[4-[[4-(trifluoromethyl)benzyl]sulfonylcarbamoyl]piperidino]nicotinic acid isopropyl ester Formula: C25H27F3N4O5S MolecularWeight: 552.56589

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)N2CCC(CC2)C(=O)NS(=O)(=O)CC3=CC=C(C=C3)C(F)(F)F)C#N)C(=O)OC(C)C

Isomeric SMILES

CC1=C(C=C(C(=N1)N2CCC(CC2)C(=O)NS(=O)(=O)CC3=CC=C(C=C3)C(F)(F)F)C#N)C(=O)OC(C)C

InChI

InChI=1S/C25H27F3N4O5S/c1-15(2)37-24(34)21-12-19(13-29)22(30-16(21)3)32-10-8-18(9-11-32)23(33)31-38(35,36)14-17-4-6-20(7-5-17)25(26,27)28/h4-7,12,15,18H,8-11,14H2,1-3H3,(H,31,33)