2,2,2-tris(fluoranyl)ethyl 4-[(4-piperidin-1-ylsulfonylphenyl)methylcarbamoyl]piperidine-1-carboxylate

Systemtic Name: 2,2,2-tris(fluoranyl)ethyl 4-[(4-piperidin-1-ylsulfonylphenyl)methylcarbamoyl]piperidine-1-carboxylate Openeye Name: 2,2,2-trifluoroethyl 4-[[4-(1-piperidylsulfonyl)phenyl]methylcarbamoyl]piperidine-1-carboxylate CAS Name: 4-[oxo-[[4-(1-piperidinylsulfonyl)phenyl]methylamino]methyl]-1-piperidinecarboxylic acid 2,2,2-trifluoroethyl ester IUPAC Name: 2,2,2-trifluoroethyl 4-[(4-piperidin-1-ylsulfonylphenyl)methylcarbamoyl]piperidine-1-carboxylate Traditional Name: 4-[(4-piperidinosulfonylbenzyl)carbamoyl]piperidine-1-carboxylic acid 2,2,2-trifluoroethyl ester Formula: C21H28F3N3O5S MolecularWeight: 491.52433

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CNC(=O)C3CCN(CC3)C(=O)OCC(F)(F)F

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CNC(=O)C3CCN(CC3)C(=O)OCC(F)(F)F

InChI

InChI=1S/C21H28F3N3O5S/c22-21(23,24)15-32-20(29)26-12-8-17(9-13-26)19(28)25-14-16-4-6-18(7-5-16)33(30,31)27-10-2-1-3-11-27/h4-7,17H,1-3,8-15H2,(H,25,28)