2-(2-methoxy-5-methyl-phenyl)-6-pyrrolidin-1-ylsulfonyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(2-methoxy-5-methyl-phenyl)-6-pyrrolidin-1-ylsulfonyl-quinoline-4-carboxylic acid Openeye Name: 2-(2-methoxy-5-methyl-phenyl)-6-pyrrolidin-1-ylsulfonyl-quinoline-4-carboxylic acid CAS Name: 2-(2-methoxy-5-methylphenyl)-6-(1-pyrrolidinylsulfonyl)-4-quinolinecarboxylic acid IUPAC Name: 2-(2-methoxy-5-methylphenyl)-6-pyrrolidin-1-ylsulfonylquinoline-4-carboxylic acid Traditional Name: 2-(2-methoxy-5-methyl-phenyl)-6-pyrrolidinosulfonyl-cinchoninic acid Formula: C22H22N2O5S MolecularWeight: 426.48548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C2=NC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)C(=C2)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C2=NC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)C(=C2)C(=O)O

InChI

InChI=1S/C22H22N2O5S/c1-14-5-8-21(29-2)18(11-14)20-13-17(22(25)26)16-12-15(6-7-19(16)23-20)30(27,28)24-9-3-4-10-24/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,25,26)