2,2,2-tris(fluoranyl)ethyl 4-[(2-methyl-5-methylsulfonyl-phenyl)carbamoyl]piperidine-1-carboxylate

Systemtic Name: 2,2,2-tris(fluoranyl)ethyl 4-[(2-methyl-5-methylsulfonyl-phenyl)carbamoyl]piperidine-1-carboxylate Openeye Name: 2,2,2-trifluoroethyl 4-[(2-methyl-5-methylsulfonyl-phenyl)carbamoyl]piperidine-1-carboxylate CAS Name: 4-[(2-methyl-5-methylsulfonylanilino)-oxomethyl]-1-piperidinecarboxylic acid 2,2,2-trifluoroethyl ester IUPAC Name: 2,2,2-trifluoroethyl 4-[(2-methyl-5-methylsulfonylphenyl)carbamoyl]piperidine-1-carboxylate Traditional Name: 4-[(5-mesyl-2-methyl-phenyl)carbamoyl]piperidine-1-carboxylic acid 2,2,2-trifluoroethyl ester Formula: C17H21F3N2O5S MolecularWeight: 422.41925

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)NC(=O)C2CCN(CC2)C(=O)OCC(F)(F)F

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)NC(=O)C2CCN(CC2)C(=O)OCC(F)(F)F

InChI

InChI=1S/C17H21F3N2O5S/c1-11-3-4-13(28(2,25)26)9-14(11)21-15(23)12-5-7-22(8-6-12)16(24)27-10-17(18,19)20/h3-4,9,12H,5-8,10H2,1-2H3,(H,21,23)