2-[3-(2-chloranylquinolin-4-yl)-2,5-dimethyl-6-methylsulfonyl-indol-1-yl]ethanoic acid

Systemtic Name: 2-[3-(2-chloranylquinolin-4-yl)-2,5-dimethyl-6-methylsulfonyl-indol-1-yl]ethanoic acid Openeye Name: 2-[3-(2-chloro-4-quinolyl)-2,5-dimethyl-6-methylsulfonyl-indol-1-yl]acetic acid CAS Name: 2-[3-(2-chloro-4-quinolinyl)-2,5-dimethyl-6-methylsulfonyl-1-indolyl]acetic acid IUPAC Name: 2-[3-(2-chloroquinolin-4-yl)-2,5-dimethyl-6-methylsulfonylindol-1-yl]acetic acid Traditional Name: 2-[3-(2-chloro-4-quinolyl)-6-mesyl-2,5-dimethyl-indol-1-yl]acetic acid Formula: C22H19ClN2O4S MolecularWeight: 442.91526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=C(N2CC(=O)O)C)C3=CC(=NC4=CC=CC=C43)Cl)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=C(N2CC(=O)O)C)C3=CC(=NC4=CC=CC=C43)Cl)S(=O)(=O)C

InChI

InChI=1S/C22H19ClN2O4S/c1-12-8-16-18(10-19(12)30(3,28)29)25(11-21(26)27)13(2)22(16)15-9-20(23)24-17-7-5-4-6-14(15)17/h4-10H,11H2,1-3H3,(H,26,27)