6,7-dimethoxy-2-[1-(phenylsulfonyl)indol-3-yl]quinoline-4-carboxylic acid

Systemtic Name: 6,7-dimethoxy-2-[1-(phenylsulfonyl)indol-3-yl]quinoline-4-carboxylic acid Openeye Name: 2-[1-(benzenesulfonyl)indol-3-yl]-6,7-dimethoxy-quinoline-4-carboxylic acid CAS Name: 2-[1-(benzenesulfonyl)-3-indolyl]-6,7-dimethoxy-4-quinolinecarboxylic acid IUPAC Name: 2-[1-(benzenesulfonyl)indol-3-yl]-6,7-dimethoxyquinoline-4-carboxylic acid Traditional Name: 2-(1-besylindol-3-yl)-6,7-dimethoxy-cinchoninic acid Formula: C26H20N2O6S MolecularWeight: 488.5118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=CC(=N2)C3=CN(C4=CC=CC=C43)S(=O)(=O)C5=CC=CC=C5)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=CC(=N2)C3=CN(C4=CC=CC=C43)S(=O)(=O)C5=CC=CC=C5)C(=O)O)OC

InChI

InChI=1S/C26H20N2O6S/c1-33-24-13-18-19(26(29)30)12-21(27-22(18)14-25(24)34-2)20-15-28(23-11-7-6-10-17(20)23)35(31,32)16-8-4-3-5-9-16/h3-15H,1-2H3,(H,29,30)