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

Systemtic Name: 3-[[4-acetamido-2-(1-isoquinolin-4-ylpropan-2-yloxy)phenyl]sulfonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[4-acetamido-2-[2-(4-isoquinolyl)-1-methyl-ethoxy]phenyl]sulfonylamino]-4-oxo-butanoic acid CAS Name: 3-[[4-acetamido-2-[1-(4-isoquinolinyl)propan-2-yloxy]phenyl]sulfonylamino]-4-oxobutanoic acid IUPAC Name: 3-[[4-acetamido-2-(1-isoquinolin-4-ylpropan-2-yloxy)phenyl]sulfonylamino]-4-oxobutanoic acid Traditional Name: 3-[[4-acetamido-2-[2-(4-isoquinolyl)-1-methyl-ethoxy]phenyl]sulfonylamino]-4-keto-butyric acid Formula: C24H25N3O7S MolecularWeight: 499.5362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25N3O7S/c1-15(9-18-13-25-12-17-5-3-4-6-21(17)18)34-22-10-19(26-16(2)29)7-8-23(22)35(32,33)27-20(14-28)11-24(30)31/h3-8,10,12-15,20,27H,9,11H2,1-2H3,(H,26,29)(H,30,31)