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

Systemtic Name: 6-(4-methylpiperidin-1-yl)sulfonyl-2-phenyl-quinoline-4-carboxylic acid Openeye Name: 6-[(4-methyl-1-piperidyl)sulfonyl]-2-phenyl-quinoline-4-carboxylic acid CAS Name: 6-[(4-methyl-1-piperidinyl)sulfonyl]-2-phenyl-4-quinolinecarboxylic acid IUPAC Name: 6-(4-methylpiperidin-1-yl)sulfonyl-2-phenylquinoline-4-carboxylic acid Traditional Name: 6-(4-methylpiperidino)sulfonyl-2-phenyl-cinchoninic acid Formula: C22H22N2O4S MolecularWeight: 410.48608

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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=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O4S/c1-15-9-11-24(12-10-15)29(27,28)17-7-8-20-18(13-17)19(22(25)26)14-21(23-20)16-5-3-2-4-6-16/h2-8,13-15H,9-12H2,1H3,(H,25,26)