methyl 4-phenyl-1-[3-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxylate

Systemtic Name: methyl 4-phenyl-1-[3-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxylate Openeye Name: methyl 4-phenyl-1-[3-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxylate CAS Name: 4-phenyl-1-[3-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-phenyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 4-phenyl-1-[3-(trifluoromethyl)phenyl]sulfonyl-isonipecotic acid methyl ester Formula: C20H20F3NO4S MolecularWeight: 427.43731

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1(CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C3=CC=CC=C3

InChI

InChI=1S/C20H20F3NO4S/c1-28-18(25)19(15-6-3-2-4-7-15)10-12-24(13-11-19)29(26,27)17-9-5-8-16(14-17)20(21,22)23/h2-9,14H,10-13H2,1H3