2,2,2-tris(fluoranyl)ethyl 4-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)carbamoyl]piperidine-1-carboxylate

Systemtic Name: 2,2,2-tris(fluoranyl)ethyl 4-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)carbamoyl]piperidine-1-carboxylate Openeye Name: 2,2,2-trifluoroethyl 4-[[4-methyl-3-(1-piperidylsulfonyl)phenyl]carbamoyl]piperidine-1-carboxylate CAS Name: 4-[[4-methyl-3-(1-piperidinylsulfonyl)anilino]-oxomethyl]-1-piperidinecarboxylic acid 2,2,2-trifluoroethyl ester IUPAC Name: 2,2,2-trifluoroethyl 4-[(4-methyl-3-piperidin-1-ylsulfonylphenyl)carbamoyl]piperidine-1-carboxylate Traditional Name: 4-[(4-methyl-3-piperidinosulfonyl-phenyl)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:

CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)C(=O)OCC(F)(F)F)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)C(=O)OCC(F)(F)F)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H28F3N3O5S/c1-15-5-6-17(13-18(15)33(30,31)27-9-3-2-4-10-27)25-19(28)16-7-11-26(12-8-16)20(29)32-14-21(22,23)24/h5-6,13,16H,2-4,7-12,14H2,1H3,(H,25,28)