ethyl 4-[1-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[1-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-piperidinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylisonipecotoyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H25ClF3N3O5S MolecularWeight: 511.94281

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C20H25ClF3N3O5S/c1-2-32-19(29)26-11-9-25(10-12-26)18(28)14-5-7-27(8-6-14)33(30,31)15-3-4-17(21)16(13-15)20(22,23)24/h3-4,13-14H,2,5-12H2,1H3