(3-methylphenyl) 1-[2-chloranyl-5-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: (3-methylphenyl) 1-[2-chloranyl-5-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: m-tolyl 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxylic acid (3-methylphenyl) ester IUPAC Name: (3-methylphenyl) 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylisonipecotic acid m-tolyl ester Formula: C20H19ClF3NO4S MolecularWeight: 461.88237

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClF3NO4S/c1-13-3-2-4-16(11-13)29-19(26)14-7-9-25(10-8-14)30(27,28)18-12-15(20(22,23)24)5-6-17(18)21/h2-6,11-12,14H,7-10H2,1H3