1-[8-(3-methylsulfinylphenyl)-1,7-naphthyridin-6-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[8-(3-methylsulfinylphenyl)-1,7-naphthyridin-6-yl]piperidine-4-carboxylic acid Openeye Name: 1-[8-(3-methylsulfinylphenyl)-1,7-naphthyridin-6-yl]piperidine-4-carboxylic acid CAS Name: 1-[8-(3-methylsulfinylphenyl)-1,7-naphthyridin-6-yl]-4-piperidinecarboxylic acid IUPAC Name: 1-[8-(3-methylsulfinylphenyl)-1,7-naphthyridin-6-yl]piperidine-4-carboxylic acid Traditional Name: 1-[8-(3-methylsulfinylphenyl)-1,7-naphthyridin-6-yl]isonipecotic acid Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)C1=CC=CC(=C1)C2=C3C(=CC(=N2)N4CCC(CC4)C(=O)O)C=CC=N3

Isomeric SMILES

CS(=O)C1=CC=CC(=C1)C2=C3C(=CC(=N2)N4CCC(CC4)C(=O)O)C=CC=N3

InChI

InChI=1S/C21H21N3O3S/c1-28(27)17-6-2-4-15(12-17)20-19-16(5-3-9-22-19)13-18(23-20)24-10-7-14(8-11-24)21(25)26/h2-6,9,12-14H,7-8,10-11H2,1H3,(H,25,26)