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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=C2C3=C4C=CC=C(C4=NC=C3)S(=O)(=O)C)C)CC(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=C2C3=C4C=CC=C(C4=NC=C3)S(=O)(=O)C)C)CC(=O)O

InChI

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