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

Systemtic Name: 1-[2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanylethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanylacetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[[1-(4-chlorophenyl)-2-imidazolyl]thio]-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanylacetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[[1-(4-chlorophenyl)imidazol-2-yl]thio]acetyl]isonipecotic acid Formula: C17H18ClN3O3S MolecularWeight: 379.86112

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)CSC2=NC=CN2C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)CSC2=NC=CN2C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H18ClN3O3S/c18-13-1-3-14(4-2-13)21-10-7-19-17(21)25-11-15(22)20-8-5-12(6-9-20)16(23)24/h1-4,7,10,12H,5-6,8-9,11H2,(H,23,24)