4-[5-[[4-[(5R)-3-tert-butyl-2-oxidanylidene-5-phenyl-imidazolidin-1-yl]piperidin-1-yl]methyl]pyridin-2-yl]sulfanylbenzoic acid

Systemtic Name: 4-[5-[[4-[(5R)-3-tert-butyl-2-oxidanylidene-5-phenyl-imidazolidin-1-yl]piperidin-1-yl]methyl]pyridin-2-yl]sulfanylbenzoic acid Openeye Name: 4-[[5-[[4-[(5R)-3-tert-butyl-2-oxo-5-phenyl-imidazolidin-1-yl]-1-piperidyl]methyl]-2-pyridyl]sulfanyl]benzoic acid CAS Name: 4-[[5-[[4-[(5R)-3-tert-butyl-2-oxo-5-phenyl-1-imidazolidinyl]-1-piperidinyl]methyl]-2-pyridinyl]thio]benzoic acid IUPAC Name: 4-[5-[[4-[(5R)-3-tert-butyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]methyl]pyridin-2-yl]sulfanylbenzoic acid Traditional Name: 4-[[5-[[4-[(5R)-3-tert-butyl-2-keto-5-phenyl-imidazolidin-1-yl]piperidino]methyl]-2-pyridyl]thio]benzoic acid Formula: C31H36N4O3S MolecularWeight: 544.70754

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1CC(N(C1=O)C2CCN(CC2)CC3=CN=C(C=C3)SC4=CC=C(C=C4)C(=O)O)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)N1C[C@H](N(C1=O)C2CCN(CC2)CC3=CN=C(C=C3)SC4=CC=C(C=C4)C(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C31H36N4O3S/c1-31(2,3)34-21-27(23-7-5-4-6-8-23)35(30(34)38)25-15-17-33(18-16-25)20-22-9-14-28(32-19-22)39-26-12-10-24(11-13-26)29(36)37/h4-14,19,25,27H,15-18,20-21H2,1-3H3,(H,36,37)/t27-/m0/s1