1-[1,3-benzothiazol-2-yl-(3,4-dichlorophenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[1,3-benzothiazol-2-yl-(3,4-dichlorophenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[1,3-benzothiazol-2-yl-(3,4-dichlorophenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[1,3-benzothiazol-2-yl-(3,4-dichlorophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzothiazol-2-yl-(3,4-dichlorophenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[1,3-benzothiazol-2-yl-(3,4-dichlorophenyl)methyl]nipecotic acid Formula: C20H18Cl2N2O2S MolecularWeight: 421.34012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18Cl2N2O2S/c21-14-8-7-12(10-15(14)22)18(24-9-3-4-13(11-24)20(25)26)19-23-16-5-1-2-6-17(16)27-19/h1-2,5-8,10,13,18H,3-4,9,11H2,(H,25,26)