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

Systemtic Name: 3-[[4-acetamido-2-(2-isoquinolin-4-ylethoxy)phenyl]sulfonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[4-acetamido-2-[2-(4-isoquinolyl)ethoxy]phenyl]sulfonylamino]-4-oxo-butanoic acid CAS Name: 3-[[4-acetamido-2-[2-(4-isoquinolinyl)ethoxy]phenyl]sulfonylamino]-4-oxobutanoic acid IUPAC Name: 3-[[4-acetamido-2-(2-isoquinolin-4-ylethoxy)phenyl]sulfonylamino]-4-oxobutanoic acid Traditional Name: 3-[[4-acetamido-2-[2-(4-isoquinolyl)ethoxy]phenyl]sulfonylamino]-4-keto-butyric acid Formula: C23H23N3O7S MolecularWeight: 485.50962

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)S(=O)(=O)NC(CC(=O)O)C=O)OCCC2=CN=CC3=CC=CC=C32

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)S(=O)(=O)NC(CC(=O)O)C=O)OCCC2=CN=CC3=CC=CC=C32

InChI

InChI=1S/C23H23N3O7S/c1-15(28)25-18-6-7-22(34(31,32)26-19(14-27)11-23(29)30)21(10-18)33-9-8-17-13-24-12-16-4-2-3-5-20(16)17/h2-7,10,12-14,19,26H,8-9,11H2,1H3,(H,25,28)(H,29,30)