butyl 1-[3,4-bis(fluoranyl)phenyl]sulfonyl-4-phenyl-piperidine-4-carboxylate

Systemtic Name: butyl 1-[3,4-bis(fluoranyl)phenyl]sulfonyl-4-phenyl-piperidine-4-carboxylate Openeye Name: butyl 1-(3,4-difluorophenyl)sulfonyl-4-phenyl-piperidine-4-carboxylate CAS Name: 1-(3,4-difluorophenyl)sulfonyl-4-phenyl-4-piperidinecarboxylic acid butyl ester IUPAC Name: butyl 1-(3,4-difluorophenyl)sulfonyl-4-phenylpiperidine-4-carboxylate Traditional Name: 1-(3,4-difluorophenyl)sulfonyl-4-phenyl-isonipecotic acid butyl ester Formula: C22H25F2NO4S MolecularWeight: 437.500006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25F2NO4S/c1-2-3-15-29-21(26)22(17-7-5-4-6-8-17)11-13-25(14-12-22)30(27,28)18-9-10-19(23)20(24)16-18/h4-10,16H,2-3,11-15H2,1H3