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

Systemtic Name: 2-(4-methylsulfanylphenyl)-6-piperidin-1-ylsulfonyl-quinoline-4-carboxylic acid Openeye Name: 2-(4-methylsulfanylphenyl)-6-(1-piperidylsulfonyl)quinoline-4-carboxylic acid CAS Name: 2-[4-(methylthio)phenyl]-6-(1-piperidinylsulfonyl)-4-quinolinecarboxylic acid IUPAC Name: 2-(4-methylsulfanylphenyl)-6-piperidin-1-ylsulfonylquinoline-4-carboxylic acid Traditional Name: 2-[4-(methylthio)phenyl]-6-piperidinosulfonyl-cinchoninic acid Formula: C22H22N2O4S2 MolecularWeight: 442.55108

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)S(=O)(=O)N4CCCCC4)C(=C2)C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)S(=O)(=O)N4CCCCC4)C(=C2)C(=O)O

InChI

InChI=1S/C22H22N2O4S2/c1-29-16-7-5-15(6-8-16)21-14-19(22(25)26)18-13-17(9-10-20(18)23-21)30(27,28)24-11-3-2-4-12-24/h5-10,13-14H,2-4,11-12H2,1H3,(H,25,26)