2-[3-(7-chloranylquinolin-4-yl)-2-methyl-5-methylsulfonyl-indol-1-yl]ethanoic acid

Systemtic Name: 2-[3-(7-chloranylquinolin-4-yl)-2-methyl-5-methylsulfonyl-indol-1-yl]ethanoic acid Openeye Name: 2-[3-(7-chloro-4-quinolyl)-2-methyl-5-methylsulfonyl-indol-1-yl]acetic acid CAS Name: 2-[3-(7-chloro-4-quinolinyl)-2-methyl-5-methylsulfonyl-1-indolyl]acetic acid IUPAC Name: 2-[3-(7-chloroquinolin-4-yl)-2-methyl-5-methylsulfonylindol-1-yl]acetic acid Traditional Name: 2-[3-(7-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(=CC4=NC=C3)Cl

Isomeric SMILES

CC1=C(C2=C(N1CC(=O)O)C=CC(=C2)S(=O)(=O)C)C3=C4C=CC(=CC4=NC=C3)Cl

InChI

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