2-[2-[[1-(3-chlorophenyl)carbonylpiperidin-3-yl]methylsulfanyl]benzimidazol-1-yl]ethanoic acid

Systemtic Name: 2-[2-[[1-(3-chlorophenyl)carbonylpiperidin-3-yl]methylsulfanyl]benzimidazol-1-yl]ethanoic acid Openeye Name: 2-[2-[[1-(3-chlorobenzoyl)-3-piperidyl]methylsulfanyl]benzimidazol-1-yl]acetic acid CAS Name: 2-[2-[[1-[(3-chlorophenyl)-oxomethyl]-3-piperidinyl]methylthio]-1-benzimidazolyl]acetic acid IUPAC Name: 2-[2-[[1-(3-chlorobenzoyl)piperidin-3-yl]methylsulfanyl]benzimidazol-1-yl]acetic acid Traditional Name: 2-[2-[[1-(3-chlorobenzoyl)-3-piperidyl]methylthio]benzimidazol-1-yl]acetic acid Formula: C22H22ClN3O3S MolecularWeight: 443.94638

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC(=CC=C2)Cl)CSC3=NC4=CC=CC=C4N3CC(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=CC(=CC=C2)Cl)CSC3=NC4=CC=CC=C4N3CC(=O)O

InChI

InChI=1S/C22H22ClN3O3S/c23-17-7-3-6-16(11-17)21(29)25-10-4-5-15(12-25)14-30-22-24-18-8-1-2-9-19(18)26(22)13-20(27)28/h1-3,6-9,11,15H,4-5,10,12-14H2,(H,27,28)