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

Systemtic Name: 3-[[4-(dimethylamino)-2-(1-isoquinolin-4-ylpropan-2-yloxy)phenyl]sulfonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[4-(dimethylamino)-2-[2-(4-isoquinolyl)-1-methyl-ethoxy]phenyl]sulfonylamino]-4-oxo-butanoic acid CAS Name: 3-[[4-(dimethylamino)-2-[1-(4-isoquinolinyl)propan-2-yloxy]phenyl]sulfonylamino]-4-oxobutanoic acid IUPAC Name: 3-[[4-(dimethylamino)-2-(1-isoquinolin-4-ylpropan-2-yloxy)phenyl]sulfonylamino]-4-oxobutanoic acid Traditional Name: 3-[[4-(dimethylamino)-2-[2-(4-isoquinolyl)-1-methyl-ethoxy]phenyl]sulfonylamino]-4-keto-butyric acid Formula: C24H27N3O6S MolecularWeight: 485.55268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O6S/c1-16(10-18-14-25-13-17-6-4-5-7-21(17)18)33-22-12-20(27(2)3)8-9-23(22)34(31,32)26-19(15-28)11-24(29)30/h4-9,12-16,19,26H,10-11H2,1-3H3,(H,29,30)