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

Systemtic Name: 3-[[2-(1-isoquinolin-4-ylpropan-2-yloxy)-4-methoxy-phenyl]sulfonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[2-[2-(4-isoquinolyl)-1-methyl-ethoxy]-4-methoxy-phenyl]sulfonylamino]-4-oxo-butanoic acid CAS Name: 3-[[2-[1-(4-isoquinolinyl)propan-2-yloxy]-4-methoxyphenyl]sulfonylamino]-4-oxobutanoic acid IUPAC Name: 3-[[2-(1-isoquinolin-4-ylpropan-2-yloxy)-4-methoxyphenyl]sulfonylamino]-4-oxobutanoic acid Traditional Name: 3-[[2-[2-(4-isoquinolyl)-1-methyl-ethoxy]-4-methoxy-phenyl]sulfonylamino]-4-keto-butyric acid Formula: C23H24N2O7S MolecularWeight: 472.51086

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CN=CC2=CC=CC=C21)OC3=C(C=CC(=C3)OC)S(=O)(=O)NC(CC(=O)O)C=O

Isomeric SMILES

CC(CC1=CN=CC2=CC=CC=C21)OC3=C(C=CC(=C3)OC)S(=O)(=O)NC(CC(=O)O)C=O

InChI

InChI=1S/C23H24N2O7S/c1-15(9-17-13-24-12-16-5-3-4-6-20(16)17)32-21-11-19(31-2)7-8-22(21)33(29,30)25-18(14-26)10-23(27)28/h3-8,11-15,18,25H,9-10H2,1-2H3,(H,27,28)