1-[2-(1-pentylbenzimidazol-2-yl)sulfanylethanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-(1-pentylbenzimidazol-2-yl)sulfanylethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(1-pentylbenzimidazol-2-yl)sulfanylacetyl]piperidine-4-carboxylic acid CAS Name: 1-[1-oxo-2-[(1-pentyl-2-benzimidazolyl)thio]ethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(1-pentylbenzimidazol-2-yl)sulfanylacetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[(1-amylbenzimidazol-2-yl)thio]acetyl]isonipecotic acid Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=CC=CC=C2N=C1SCC(=O)N3CCC(CC3)C(=O)O

Isomeric SMILES

CCCCCN1C2=CC=CC=C2N=C1SCC(=O)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C20H27N3O3S/c1-2-3-6-11-23-17-8-5-4-7-16(17)21-20(23)27-14-18(24)22-12-9-15(10-13-22)19(25)26/h4-5,7-8,15H,2-3,6,9-14H2,1H3,(H,25,26)