2,2,2-tris(fluoranyl)ethyl 4-[(4-methylsulfonylphenyl)carbamoyl]piperidine-1-carboxylate

Systemtic Name: 2,2,2-tris(fluoranyl)ethyl 4-[(4-methylsulfonylphenyl)carbamoyl]piperidine-1-carboxylate Openeye Name: 2,2,2-trifluoroethyl 4-[(4-methylsulfonylphenyl)carbamoyl]piperidine-1-carboxylate CAS Name: 4-[(4-methylsulfonylanilino)-oxomethyl]-1-piperidinecarboxylic acid 2,2,2-trifluoroethyl ester IUPAC Name: 2,2,2-trifluoroethyl 4-[(4-methylsulfonylphenyl)carbamoyl]piperidine-1-carboxylate Traditional Name: 4-[(4-mesylphenyl)carbamoyl]piperidine-1-carboxylic acid 2,2,2-trifluoroethyl ester Formula: C16H19F3N2O5S MolecularWeight: 408.39267

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)C(=O)OCC(F)(F)F

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)C(=O)OCC(F)(F)F

InChI

InChI=1S/C16H19F3N2O5S/c1-27(24,25)13-4-2-12(3-5-13)20-14(22)11-6-8-21(9-7-11)15(23)26-10-16(17,18)19/h2-5,11H,6-10H2,1H3,(H,20,22)