1-[2-(5-chloranyl-1-propyl-benzimidazol-2-yl)sulfanylethanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-(5-chloranyl-1-propyl-benzimidazol-2-yl)sulfanylethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(5-chloro-1-propyl-benzimidazol-2-yl)sulfanylacetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[(5-chloro-1-propyl-2-benzimidazolyl)thio]-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanylacetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[(5-chloro-1-propyl-benzimidazol-2-yl)thio]acetyl]isonipecotic acid Formula: C18H22ClN3O3S MolecularWeight: 395.90358

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)Cl)N=C1SCC(=O)N3CCC(CC3)C(=O)O

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)Cl)N=C1SCC(=O)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C18H22ClN3O3S/c1-2-7-22-15-4-3-13(19)10-14(15)20-18(22)26-11-16(23)21-8-5-12(6-9-21)17(24)25/h3-4,10,12H,2,5-9,11H2,1H3,(H,24,25)