6-(4-methylpiperidin-1-yl)sulfonylquinoline-4-carboxylic acid

Systemtic Name: 6-(4-methylpiperidin-1-yl)sulfonylquinoline-4-carboxylic acid Openeye Name: 6-[(4-methyl-1-piperidyl)sulfonyl]quinoline-4-carboxylic acid CAS Name: 6-[(4-methyl-1-piperidinyl)sulfonyl]-4-quinolinecarboxylic acid IUPAC Name: 6-(4-methylpiperidin-1-yl)sulfonylquinoline-4-carboxylic acid Traditional Name: 6-(4-methylpiperidino)sulfonylcinchoninic acid Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O4S/c1-11-5-8-18(9-6-11)23(21,22)12-2-3-15-14(10-12)13(16(19)20)4-7-17-15/h2-4,7,10-11H,5-6,8-9H2,1H3,(H,19,20)