2-[1-[(2-ethanoyl-3,4-dihydro-1H-isoquinolin-6-yl)sulfonyl]-5-fluoranyl-2-methyl-indol-3-yl]ethanoic acid

Systemtic Name: 2-[1-[(2-ethanoyl-3,4-dihydro-1H-isoquinolin-6-yl)sulfonyl]-5-fluoranyl-2-methyl-indol-3-yl]ethanoic acid Openeye Name: 2-[1-[(2-acetyl-3,4-dihydro-1H-isoquinolin-6-yl)sulfonyl]-5-fluoro-2-methyl-indol-3-yl]acetic acid CAS Name: 2-[1-[(2-acetyl-3,4-dihydro-1H-isoquinolin-6-yl)sulfonyl]-5-fluoro-2-methyl-3-indolyl]acetic acid IUPAC Name: 2-[1-[(2-acetyl-3,4-dihydro-1H-isoquinolin-6-yl)sulfonyl]-5-fluoro-2-methylindol-3-yl]acetic acid Traditional Name: 2-[1-[(2-acetyl-3,4-dihydro-1H-isoquinolin-6-yl)sulfonyl]-5-fluoro-2-methyl-indol-3-yl]acetic acid Formula: C22H21FN2O5S MolecularWeight: 444.475943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21FN2O5S/c1-13-19(11-22(27)28)20-10-17(23)4-6-21(20)25(13)31(29,30)18-5-3-16-12-24(14(2)26)8-7-15(16)9-18/h3-6,9-10H,7-8,11-12H2,1-2H3,(H,27,28)