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

Systemtic Name: 2-[5-chloranyl-2-methyl-3-(8-methylsulfonylquinolin-4-yl)indol-1-yl]ethanoic acid Openeye Name: 2-[5-chloro-2-methyl-3-(8-methylsulfonyl-4-quinolyl)indol-1-yl]acetic acid CAS Name: 2-[5-chloro-2-methyl-3-(8-methylsulfonyl-4-quinolinyl)-1-indolyl]acetic acid IUPAC Name: 2-[5-chloro-2-methyl-3-(8-methylsulfonylquinolin-4-yl)indol-1-yl]acetic acid Traditional Name: 2-[5-chloro-3-(8-mesyl-4-quinolyl)-2-methyl-indol-1-yl]acetic acid Formula: C21H17ClN2O4S MolecularWeight: 428.88868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC(=O)O)C=CC(=C2)Cl)C3=C4C=CC=C(C4=NC=C3)S(=O)(=O)C

Isomeric SMILES

CC1=C(C2=C(N1CC(=O)O)C=CC(=C2)Cl)C3=C4C=CC=C(C4=NC=C3)S(=O)(=O)C

InChI

InChI=1S/C21H17ClN2O4S/c1-12-20(16-10-13(22)6-7-17(16)24(12)11-19(25)26)14-8-9-23-21-15(14)4-3-5-18(21)29(2,27)28/h3-10H,11H2,1-2H3,(H,25,26)