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

Systemtic Name: 4-[5-[[4-[(5R)-3-cyclohexyl-5-methyl-2-oxidanylidene-imidazolidin-1-yl]piperidin-1-yl]methyl]pyridin-2-yl]sulfanylbenzoic acid Openeye Name: 4-[[5-[[4-[(5R)-3-cyclohexyl-5-methyl-2-oxo-imidazolidin-1-yl]-1-piperidyl]methyl]-2-pyridyl]sulfanyl]benzoic acid CAS Name: 4-[[5-[[4-[(5R)-3-cyclohexyl-5-methyl-2-oxo-1-imidazolidinyl]-1-piperidinyl]methyl]-2-pyridinyl]thio]benzoic acid IUPAC Name: 4-[5-[[4-[(5R)-3-cyclohexyl-5-methyl-2-oxoimidazolidin-1-yl]piperidin-1-yl]methyl]pyridin-2-yl]sulfanylbenzoic acid Traditional Name: 4-[[5-[[4-[(5R)-3-cyclohexyl-2-keto-5-methyl-imidazolidin-1-yl]piperidino]methyl]-2-pyridyl]thio]benzoic acid Formula: C28H36N4O3S MolecularWeight: 508.67544

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(=O)N1C2CCN(CC2)CC3=CN=C(C=C3)SC4=CC=C(C=C4)C(=O)O)C5CCCCC5

Isomeric SMILES

C[C@@H]1CN(C(=O)N1C2CCN(CC2)CC3=CN=C(C=C3)SC4=CC=C(C=C4)C(=O)O)C5CCCCC5

InChI

InChI=1S/C28H36N4O3S/c1-20-18-31(23-5-3-2-4-6-23)28(35)32(20)24-13-15-30(16-14-24)19-21-7-12-26(29-17-21)36-25-10-8-22(9-11-25)27(33)34/h7-12,17,20,23-24H,2-6,13-16,18-19H2,1H3,(H,33,34)/t20-/m1/s1