2-(4-methoxy-2-methyl-phenyl)-6-piperidin-1-ylsulfonyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(4-methoxy-2-methyl-phenyl)-6-piperidin-1-ylsulfonyl-quinoline-4-carboxylic acid Openeye Name: 2-(4-methoxy-2-methyl-phenyl)-6-(1-piperidylsulfonyl)quinoline-4-carboxylic acid CAS Name: 2-(4-methoxy-2-methylphenyl)-6-(1-piperidinylsulfonyl)-4-quinolinecarboxylic acid IUPAC Name: 2-(4-methoxy-2-methylphenyl)-6-piperidin-1-ylsulfonylquinoline-4-carboxylic acid Traditional Name: 2-(4-methoxy-2-methyl-phenyl)-6-piperidinosulfonyl-cinchoninic acid Formula: C23H24N2O5S MolecularWeight: 440.51206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N2O5S/c1-15-12-16(30-2)6-8-18(15)22-14-20(23(26)27)19-13-17(7-9-21(19)24-22)31(28,29)25-10-4-3-5-11-25/h6-9,12-14H,3-5,10-11H2,1-2H3,(H,26,27)