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

Systemtic Name: (3R)-3-[[2-(2-isoquinolin-3-ylethoxy)phenyl]sulfonylamino]-4-oxidanylidene-butanoic acid Openeye Name: (3R)-3-[[2-[2-(3-isoquinolyl)ethoxy]phenyl]sulfonylamino]-4-oxo-butanoic acid CAS Name: (3R)-3-[[2-[2-(3-isoquinolinyl)ethoxy]phenyl]sulfonylamino]-4-oxobutanoic acid IUPAC Name: (3R)-3-[[2-(2-isoquinolin-3-ylethoxy)phenyl]sulfonylamino]-4-oxobutanoic acid Traditional Name: (3R)-3-[[2-[2-(3-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=NC(=CC2=C1)CCOC3=CC=CC=C3S(=O)(=O)NC(CC(=O)O)C=O

Isomeric SMILES

C1=CC=C2C=NC(=CC2=C1)CCOC3=CC=CC=C3S(=O)(=O)N[C@H](CC(=O)O)C=O

InChI

InChI=1S/C21H20N2O6S/c24-14-18(12-21(25)26)23-30(27,28)20-8-4-3-7-19(20)29-10-9-17-11-15-5-1-2-6-16(15)13-22-17/h1-8,11,13-14,18,23H,9-10,12H2,(H,25,26)/t18-/m1/s1