3-[[4-(dimethylamino)-2-(2-isoquinolin-4-ylethoxy)phenyl]sulfonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[[4-(dimethylamino)-2-(2-isoquinolin-4-ylethoxy)phenyl]sulfonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[4-(dimethylamino)-2-[2-(4-isoquinolyl)ethoxy]phenyl]sulfonylamino]-4-oxo-butanoic acid CAS Name: 3-[[4-(dimethylamino)-2-[2-(4-isoquinolinyl)ethoxy]phenyl]sulfonylamino]-4-oxobutanoic acid IUPAC Name: 3-[[4-(dimethylamino)-2-(2-isoquinolin-4-ylethoxy)phenyl]sulfonylamino]-4-oxobutanoic acid Traditional Name: 3-[[4-(dimethylamino)-2-[2-(4-isoquinolyl)ethoxy]phenyl]sulfonylamino]-4-keto-butyric acid Formula: C23H25N3O6S MolecularWeight: 471.5261

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC(=C(C=C1)S(=O)(=O)NC(CC(=O)O)C=O)OCCC2=CN=CC3=CC=CC=C32

Isomeric SMILES

CN(C)C1=CC(=C(C=C1)S(=O)(=O)NC(CC(=O)O)C=O)OCCC2=CN=CC3=CC=CC=C32

InChI

InChI=1S/C23H25N3O6S/c1-26(2)19-7-8-22(33(30,31)25-18(15-27)11-23(28)29)21(12-19)32-10-9-17-14-24-13-16-5-3-4-6-20(16)17/h3-8,12-15,18,25H,9-11H2,1-2H3,(H,28,29)