1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-pyridin-2-yl]-4-propan-2-yl-piperidine-4-carboxylic acid

Systemtic Name: 1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-pyridin-2-yl]-4-propan-2-yl-piperidine-4-carboxylic acid Openeye Name: 1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridyl]-4-isopropyl-piperidine-4-carboxylic acid CAS Name: 1-[5-[(cyclohexylamino)-oxomethyl]-6-(propylthio)-2-pyridinyl]-4-propan-2-yl-4-piperidinecarboxylic acid IUPAC Name: 1-[5-(cyclohexylcarbamoyl)-6-propylsulfanylpyridin-2-yl]-4-propan-2-ylpiperidine-4-carboxylic acid Traditional Name: 1-[5-(cyclohexylcarbamoyl)-6-(propylthio)-2-pyridyl]-4-isopropyl-isonipecotic acid Formula: C24H37N3O3S MolecularWeight: 447.63388

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C=CC(=N1)N2CCC(CC2)(C(C)C)C(=O)O)C(=O)NC3CCCCC3

Isomeric SMILES

CCCSC1=C(C=CC(=N1)N2CCC(CC2)(C(C)C)C(=O)O)C(=O)NC3CCCCC3

InChI

InChI=1S/C24H37N3O3S/c1-4-16-31-22-19(21(28)25-18-8-6-5-7-9-18)10-11-20(26-22)27-14-12-24(13-15-27,17(2)3)23(29)30/h10-11,17-18H,4-9,12-16H2,1-3H3,(H,25,28)(H,29,30)