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

Systemtic Name: (2-chloranyl-5-methyl-phenyl) 1-[2-chloranyl-5-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: (2-chloro-5-methyl-phenyl) 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxylic acid (2-chloro-5-methylphenyl) ester IUPAC Name: (2-chloro-5-methylphenyl) 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylisonipecotic acid (2-chloro-5-methyl-phenyl) ester Formula: C20H18Cl2F3NO4S MolecularWeight: 496.32743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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