[(3S,5R)-5-[3,5-bis(fluoranyl)phenyl]-4-(4-chlorophenyl)sulfonyl-morpholin-3-yl]methyl 4-piperidin-1-ylpiperidine-1-carboxylate

Systemtic Name: [(3S,5R)-5-[3,5-bis(fluoranyl)phenyl]-4-(4-chlorophenyl)sulfonyl-morpholin-3-yl]methyl 4-piperidin-1-ylpiperidine-1-carboxylate Openeye Name: [(3S,5R)-4-(4-chlorophenyl)sulfonyl-5-(3,5-difluorophenyl)morpholin-3-yl]methyl 4-(1-piperidyl)piperidine-1-carboxylate CAS Name: 4-(1-piperidinyl)-1-piperidinecarboxylic acid [(3S,5R)-4-(4-chlorophenyl)sulfonyl-5-(3,5-difluorophenyl)-3-morpholinyl]methyl ester IUPAC Name: [(3S,5R)-4-(4-chlorophenyl)sulfonyl-5-(3,5-difluorophenyl)morpholin-3-yl]methyl 4-piperidin-1-ylpiperidine-1-carboxylate Traditional Name: 4-piperidinopiperidine-1-carboxylic acid [(3S,5R)-4-(4-chlorophenyl)sulfonyl-5-(3,5-difluorophenyl)morpholin-3-yl]methyl ester Formula: C28H34ClF2N3O5S MolecularWeight: 598.101466

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2CCN(CC2)C(=O)OCC3COCC(N3S(=O)(=O)C4=CC=C(C=C4)Cl)C5=CC(=CC(=C5)F)F

Isomeric SMILES

C1CCN(CC1)C2CCN(CC2)C(=O)OC[C@@H]3COC[C@H](N3S(=O)(=O)C4=CC=C(C=C4)Cl)C5=CC(=CC(=C5)F)F

InChI

InChI=1S/C28H34ClF2N3O5S/c29-21-4-6-26(7-5-21)40(36,37)34-25(17-38-19-27(34)20-14-22(30)16-23(31)15-20)18-39-28(35)33-12-8-24(9-13-33)32-10-2-1-3-11-32/h4-7,14-16,24-25,27H,1-3,8-13,17-19H2/t25-,27-/m0/s1