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

Systemtic Name: 2-[3-(8-chloranylquinolin-4-yl)-2-methyl-5-methylsulfonyl-indol-1-yl]ethanoic acid Openeye Name: 2-[3-(8-chloro-4-quinolyl)-2-methyl-5-methylsulfonyl-indol-1-yl]acetic acid CAS Name: 2-[3-(8-chloro-4-quinolinyl)-2-methyl-5-methylsulfonyl-1-indolyl]acetic acid IUPAC Name: 2-[3-(8-chloroquinolin-4-yl)-2-methyl-5-methylsulfonylindol-1-yl]acetic acid Traditional Name: 2-[3-(8-chloro-4-quinolyl)-5-mesyl-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)S(=O)(=O)C)C3=C4C=CC=C(C4=NC=C3)Cl

Isomeric SMILES

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

InChI

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