2-(4-methoxy-3-methyl-phenyl)-6-pyrrolidin-1-ylsulfonyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(4-methoxy-3-methyl-phenyl)-6-pyrrolidin-1-ylsulfonyl-quinoline-4-carboxylic acid Openeye Name: 2-(4-methoxy-3-methyl-phenyl)-6-pyrrolidin-1-ylsulfonyl-quinoline-4-carboxylic acid CAS Name: 2-(4-methoxy-3-methylphenyl)-6-(1-pyrrolidinylsulfonyl)-4-quinolinecarboxylic acid IUPAC Name: 2-(4-methoxy-3-methylphenyl)-6-pyrrolidin-1-ylsulfonylquinoline-4-carboxylic acid Traditional Name: 2-(4-methoxy-3-methyl-phenyl)-6-pyrrolidinosulfonyl-cinchoninic acid Formula: C22H22N2O5S MolecularWeight: 426.48548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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