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

Systemtic Name: 1-[2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[1-(p-tolyl)benzimidazol-2-yl]sulfanylacetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[[1-(4-methylphenyl)-2-benzimidazolyl]thio]-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylacetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[[1-(p-tolyl)benzimidazol-2-yl]thio]acetyl]isonipecotic acid Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC(=O)N4CCC(CC4)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC(=O)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C22H23N3O3S/c1-15-6-8-17(9-7-15)25-19-5-3-2-4-18(19)23-22(25)29-14-20(26)24-12-10-16(11-13-24)21(27)28/h2-9,16H,10-14H2,1H3,(H,27,28)