2-(3-methylphenyl)-6-piperidin-1-ylsulfonyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(3-methylphenyl)-6-piperidin-1-ylsulfonyl-quinoline-4-carboxylic acid Openeye Name: 2-(m-tolyl)-6-(1-piperidylsulfonyl)quinoline-4-carboxylic acid CAS Name: 2-(3-methylphenyl)-6-(1-piperidinylsulfonyl)-4-quinolinecarboxylic acid IUPAC Name: 2-(3-methylphenyl)-6-piperidin-1-ylsulfonylquinoline-4-carboxylic acid Traditional Name: 2-(m-tolyl)-6-piperidinosulfonyl-cinchoninic acid Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC3=C(C=C(C=C3)S(=O)(=O)N4CCCCC4)C(=C2)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC3=C(C=C(C=C3)S(=O)(=O)N4CCCCC4)C(=C2)C(=O)O

InChI

InChI=1S/C22H22N2O4S/c1-15-6-5-7-16(12-15)21-14-19(22(25)26)18-13-17(8-9-20(18)23-21)29(27,28)24-10-3-2-4-11-24/h5-9,12-14H,2-4,10-11H2,1H3,(H,25,26)