1-[1,3-benzothiazol-2-yl-(3-chlorophenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[1,3-benzothiazol-2-yl-(3-chlorophenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[1,3-benzothiazol-2-yl-(3-chlorophenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[1,3-benzothiazol-2-yl-(3-chlorophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzothiazol-2-yl-(3-chlorophenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[1,3-benzothiazol-2-yl-(3-chlorophenyl)methyl]nipecotic acid Formula: C20H19ClN2O2S MolecularWeight: 386.89506

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC(=CC=C2)Cl)C3=NC4=CC=CC=C4S3)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC(=CC=C2)Cl)C3=NC4=CC=CC=C4S3)C(=O)O

InChI

InChI=1S/C20H19ClN2O2S/c21-15-7-3-5-13(11-15)18(23-10-4-6-14(12-23)20(24)25)19-22-16-8-1-2-9-17(16)26-19/h1-3,5,7-9,11,14,18H,4,6,10,12H2,(H,24,25)