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

Systemtic Name: (4-chloranyl-2-methyl-phenyl) 1-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: (4-chloro-2-methyl-phenyl) 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxylic acid (4-chloro-2-methylphenyl) ester IUPAC Name: (4-chloro-2-methylphenyl) 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylisonipecotic acid (4-chloro-2-methyl-phenyl) ester Formula: C20H18Cl2F3NO4S MolecularWeight: 496.32743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C20H18Cl2F3NO4S/c1-12-10-14(21)2-5-18(12)30-19(27)13-6-8-26(9-7-13)31(28,29)15-3-4-17(22)16(11-15)20(23,24)25/h2-5,10-11,13H,6-9H2,1H3