[1-[(2R,6S)-6-[3,5-bis(fluoranyl)phenyl]-1-(4-chlorophenyl)sulfonyl-piperidin-2-yl]cyclopropyl] (3R)-3-oxidanylpiperidine-1-carboxylate

Systemtic Name: [1-[(2R,6S)-6-[3,5-bis(fluoranyl)phenyl]-1-(4-chlorophenyl)sulfonyl-piperidin-2-yl]cyclopropyl] (3R)-3-oxidanylpiperidine-1-carboxylate Openeye Name: [1-[(2R,6S)-1-(4-chlorophenyl)sulfonyl-6-(3,5-difluorophenyl)-2-piperidyl]cyclopropyl] (3R)-3-hydroxypiperidine-1-carboxylate CAS Name: (3R)-3-hydroxy-1-piperidinecarboxylic acid [1-[(2R,6S)-1-(4-chlorophenyl)sulfonyl-6-(3,5-difluorophenyl)-2-piperidinyl]cyclopropyl] ester IUPAC Name: [1-[(2R,6S)-1-(4-chlorophenyl)sulfonyl-6-(3,5-difluorophenyl)piperidin-2-yl]cyclopropyl] (3R)-3-hydroxypiperidine-1-carboxylate Traditional Name: (3R)-3-hydroxypiperidine-1-carboxylic acid [1-[(2R,6S)-1-(4-chlorophenyl)sulfonyl-6-(3,5-difluorophenyl)-2-piperidyl]cyclopropyl] ester Formula: C26H29ClF2N2O5S MolecularWeight: 555.033666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C(C1)C2(CC2)OC(=O)N3CCCC(C3)O)S(=O)(=O)C4=CC=C(C=C4)Cl)C5=CC(=CC(=C5)F)F

Isomeric SMILES

C1C[C@H](N([C@H](C1)C2(CC2)OC(=O)N3CCC[C@H](C3)O)S(=O)(=O)C4=CC=C(C=C4)Cl)C5=CC(=CC(=C5)F)F

InChI

InChI=1S/C26H29ClF2N2O5S/c27-18-6-8-22(9-7-18)37(34,35)31-23(17-13-19(28)15-20(29)14-17)4-1-5-24(31)26(10-11-26)36-25(33)30-12-2-3-21(32)16-30/h6-9,13-15,21,23-24,32H,1-5,10-12,16H2/t21-,23+,24-/m1/s1