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

Systemtic Name: 1-[1,3-benzothiazol-2-yl-(4-bromophenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[1,3-benzothiazol-2-yl-(4-bromophenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[1,3-benzothiazol-2-yl-(4-bromophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzothiazol-2-yl-(4-bromophenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[1,3-benzothiazol-2-yl-(4-bromophenyl)methyl]nipecotic acid Formula: C20H19BrN2O2S MolecularWeight: 431.34606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19BrN2O2S/c21-15-9-7-13(8-10-15)18(23-11-3-4-14(12-23)20(24)25)19-22-16-5-1-2-6-17(16)26-19/h1-2,5-10,14,18H,3-4,11-12H2,(H,24,25)