2-[2-methyl-3-(8-methylquinolin-4-yl)-5-methylsulfonyl-indol-1-yl]ethanoic acid

Systemtic Name: 2-[2-methyl-3-(8-methylquinolin-4-yl)-5-methylsulfonyl-indol-1-yl]ethanoic acid Openeye Name: 2-[2-methyl-3-(8-methyl-4-quinolyl)-5-methylsulfonyl-indol-1-yl]acetic acid CAS Name: 2-[2-methyl-3-(8-methyl-4-quinolinyl)-5-methylsulfonyl-1-indolyl]acetic acid IUPAC Name: 2-[2-methyl-3-(8-methylquinolin-4-yl)-5-methylsulfonylindol-1-yl]acetic acid Traditional Name: 2-[5-mesyl-2-methyl-3-(8-methyl-4-quinolyl)indol-1-yl]acetic acid Formula: C22H20N2O4S MolecularWeight: 408.4702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C(C=CN=C12)C3=C(N(C4=C3C=C(C=C4)S(=O)(=O)C)CC(=O)O)C

Isomeric SMILES

CC1=CC=CC2=C(C=CN=C12)C3=C(N(C4=C3C=C(C=C4)S(=O)(=O)C)CC(=O)O)C

InChI

InChI=1S/C22H20N2O4S/c1-13-5-4-6-17-16(9-10-23-22(13)17)21-14(2)24(12-20(25)26)19-8-7-15(11-18(19)21)29(3,27)28/h4-11H,12H2,1-3H3,(H,25,26)