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

Systemtic Name: 3-[[2-(2-isoquinolin-4-ylethoxy)phenyl]sulfonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[2-[2-(4-isoquinolyl)ethoxy]phenyl]sulfonylamino]-4-oxo-butanoic acid CAS Name: 3-[[2-[2-(4-isoquinolinyl)ethoxy]phenyl]sulfonylamino]-4-oxobutanoic acid IUPAC Name: 3-[[2-(2-isoquinolin-4-ylethoxy)phenyl]sulfonylamino]-4-oxobutanoic acid Traditional Name: 3-[[2-[2-(4-isoquinolyl)ethoxy]phenyl]sulfonylamino]-4-keto-butyric acid Formula: C21H20N2O6S MolecularWeight: 428.4583

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=NC=C2CCOC3=CC=CC=C3S(=O)(=O)NC(CC(=O)O)C=O

Isomeric SMILES

C1=CC=C2C(=C1)C=NC=C2CCOC3=CC=CC=C3S(=O)(=O)NC(CC(=O)O)C=O

InChI

InChI=1S/C21H20N2O6S/c24-14-17(11-21(25)26)23-30(27,28)20-8-4-3-7-19(20)29-10-9-16-13-22-12-15-5-1-2-6-18(15)16/h1-8,12-14,17,23H,9-11H2,(H,25,26)