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

Systemtic Name: 1-[(4-acetamidophenyl)-(1,3-benzothiazol-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-acetamidophenyl)-(1,3-benzothiazol-2-yl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-acetamidophenyl)-(1,3-benzothiazol-2-yl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-acetamidophenyl)-(1,3-benzothiazol-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-acetamidophenyl)-(1,3-benzothiazol-2-yl)methyl]isonipecotic acid Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(C2=NC3=CC=CC=C3S2)N4CCC(CC4)C(=O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(C2=NC3=CC=CC=C3S2)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C22H23N3O3S/c1-14(26)23-17-8-6-15(7-9-17)20(25-12-10-16(11-13-25)22(27)28)21-24-18-4-2-3-5-19(18)29-21/h2-9,16,20H,10-13H2,1H3,(H,23,26)(H,27,28)