(5-chloranyl-1-methyl-imidazol-2-yl)methyl 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: (5-chloranyl-1-methyl-imidazol-2-yl)methyl 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: (5-chloro-1-methyl-imidazol-2-yl)methyl 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[3-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxylic acid (5-chloro-1-methyl-2-imidazolyl)methyl ester IUPAC Name: (5-chloro-1-methylimidazol-2-yl)methyl 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[3-(trifluoromethyl)phenyl]sulfonylisonipecotic acid (5-chloro-1-methyl-imidazol-2-yl)methyl ester Formula: C18H19ClF3N3O4S MolecularWeight: 465.87437

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F)Cl

Isomeric SMILES

CN1C(=CN=C1COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F)Cl

InChI

InChI=1S/C18H19ClF3N3O4S/c1-24-15(19)10-23-16(24)11-29-17(26)12-5-7-25(8-6-12)30(27,28)14-4-2-3-13(9-14)18(20,21)22/h2-4,9-10,12H,5-8,11H2,1H3