1-[2-[(6-chloranyl-1H-benzimidazol-2-yl)sulfanyl]ethanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-[(6-chloranyl-1H-benzimidazol-2-yl)sulfanyl]ethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[(6-chloro-1H-benzimidazol-2-yl)thio]-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[(6-chloro-1H-benzimidazol-2-yl)thio]acetyl]isonipecotic acid Formula: C15H16ClN3O3S MolecularWeight: 353.82384

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)CSC2=NC3=C(N2)C=C(C=C3)Cl

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)CSC2=NC3=C(N2)C=C(C=C3)Cl

InChI

InChI=1S/C15H16ClN3O3S/c16-10-1-2-11-12(7-10)18-15(17-11)23-8-13(20)19-5-3-9(4-6-19)14(21)22/h1-2,7,9H,3-6,8H2,(H,17,18)(H,21,22)