3-[[2-(1-isoquinolin-4-ylpropan-2-yloxy)phenyl]sulfonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[[2-(1-isoquinolin-4-ylpropan-2-yloxy)phenyl]sulfonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[2-[2-(4-isoquinolyl)-1-methyl-ethoxy]phenyl]sulfonylamino]-4-oxo-butanoic acid CAS Name: 3-[[2-[1-(4-isoquinolinyl)propan-2-yloxy]phenyl]sulfonylamino]-4-oxobutanoic acid IUPAC Name: 3-[[2-(1-isoquinolin-4-ylpropan-2-yloxy)phenyl]sulfonylamino]-4-oxobutanoic acid Traditional Name: 3-[[2-[2-(4-isoquinolyl)-1-methyl-ethoxy]phenyl]sulfonylamino]-4-keto-butyric acid Formula: C22H22N2O6S MolecularWeight: 442.48488

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CN=CC2=CC=CC=C21)OC3=CC=CC=C3S(=O)(=O)NC(CC(=O)O)C=O

Isomeric SMILES

CC(CC1=CN=CC2=CC=CC=C21)OC3=CC=CC=C3S(=O)(=O)NC(CC(=O)O)C=O

InChI

InChI=1S/C22H22N2O6S/c1-15(10-17-13-23-12-16-6-2-3-7-19(16)17)30-20-8-4-5-9-21(20)31(28,29)24-18(14-25)11-22(26)27/h2-9,12-15,18,24H,10-11H2,1H3,(H,26,27)