methyl 1-[4-[bis(fluoranyl)methoxy]-3-chloranyl-phenyl]sulfonyl-4-phenyl-piperidine-4-carboxylate

Systemtic Name: methyl 1-[4-[bis(fluoranyl)methoxy]-3-chloranyl-phenyl]sulfonyl-4-phenyl-piperidine-4-carboxylate Openeye Name: methyl 1-[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-4-phenyl-piperidine-4-carboxylate CAS Name: 1-[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-4-phenyl-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-4-phenylpiperidine-4-carboxylate Traditional Name: 1-[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-4-phenyl-isonipecotic acid methyl ester Formula: C20H20ClF2NO5S MolecularWeight: 459.891306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClF2NO5S/c1-28-18(25)20(14-5-3-2-4-6-14)9-11-24(12-10-20)30(26,27)15-7-8-17(16(21)13-15)29-19(22)23/h2-8,13,19H,9-12H2,1H3