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

Systemtic Name: 2-[3-(7-chloranylquinolin-4-yl)-5-methyl-2-(methylsulfonylmethyl)indol-1-yl]ethanoic acid Openeye Name: 2-[3-(7-chloro-4-quinolyl)-5-methyl-2-(methylsulfonylmethyl)indol-1-yl]acetic acid CAS Name: 2-[3-(7-chloro-4-quinolinyl)-5-methyl-2-(methylsulfonylmethyl)-1-indolyl]acetic acid IUPAC Name: 2-[3-(7-chloroquinolin-4-yl)-5-methyl-2-(methylsulfonylmethyl)indol-1-yl]acetic acid Traditional Name: 2-[3-(7-chloro-4-quinolyl)-2-(mesylmethyl)-5-methyl-indol-1-yl]acetic acid Formula: C22H19ClN2O4S MolecularWeight: 442.91526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=C2C3=C4C=CC(=CC4=NC=C3)Cl)CS(=O)(=O)C)CC(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=C2C3=C4C=CC(=CC4=NC=C3)Cl)CS(=O)(=O)C)CC(=O)O

InChI

InChI=1S/C22H19ClN2O4S/c1-13-3-6-19-17(9-13)22(20(12-30(2,28)29)25(19)11-21(26)27)16-7-8-24-18-10-14(23)4-5-15(16)18/h3-10H,11-12H2,1-2H3,(H,26,27)