2-(5-fluoranyl-1-isoquinolin-5-ylsulfonyl-2-methyl-indol-3-yl)ethanoic acid

Systemtic Name: 2-(5-fluoranyl-1-isoquinolin-5-ylsulfonyl-2-methyl-indol-3-yl)ethanoic acid Openeye Name: 2-[5-fluoro-1-(5-isoquinolylsulfonyl)-2-methyl-indol-3-yl]acetic acid CAS Name: 2-[5-fluoro-1-(5-isoquinolinylsulfonyl)-2-methyl-3-indolyl]acetic acid IUPAC Name: 2-(5-fluoro-1-isoquinolin-5-ylsulfonyl-2-methylindol-3-yl)acetic acid Traditional Name: 2-[5-fluoro-1-(5-isoquinolylsulfonyl)-2-methyl-indol-3-yl]acetic acid Formula: C20H15FN2O4S MolecularWeight: 398.407503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1S(=O)(=O)C3=CC=CC4=C3C=CN=C4)C=CC(=C2)F)CC(=O)O

Isomeric SMILES

CC1=C(C2=C(N1S(=O)(=O)C3=CC=CC4=C3C=CN=C4)C=CC(=C2)F)CC(=O)O

InChI

InChI=1S/C20H15FN2O4S/c1-12-16(10-20(24)25)17-9-14(21)5-6-18(17)23(12)28(26,27)19-4-2-3-13-11-22-8-7-15(13)19/h2-9,11H,10H2,1H3,(H,24,25)