6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-3-yl-quinoline-4-carboxylic acid

Systemtic Name: 6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-3-yl-quinoline-4-carboxylic acid Openeye Name: 6-[(4-methyl-1-piperidyl)sulfonyl]-2-(3-pyridyl)quinoline-4-carboxylic acid CAS Name: 6-[(4-methyl-1-piperidinyl)sulfonyl]-2-(3-pyridinyl)-4-quinolinecarboxylic acid IUPAC Name: 6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-3-ylquinoline-4-carboxylic acid Traditional Name: 6-(4-methylpiperidino)sulfonyl-2-(3-pyridyl)cinchoninic acid Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3C(=O)O)C4=CN=CC=C4

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3C(=O)O)C4=CN=CC=C4

InChI

InChI=1S/C21H21N3O4S/c1-14-6-9-24(10-7-14)29(27,28)16-4-5-19-17(11-16)18(21(25)26)12-20(23-19)15-3-2-8-22-13-15/h2-5,8,11-14H,6-7,9-10H2,1H3,(H,25,26)