3-[[4-acetamido-2-(2-quinolin-5-ylethoxy)phenyl]sulfonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[[4-acetamido-2-(2-quinolin-5-ylethoxy)phenyl]sulfonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[4-acetamido-2-[2-(5-quinolyl)ethoxy]phenyl]sulfonylamino]-4-oxo-butanoic acid CAS Name: 3-[[4-acetamido-2-[2-(5-quinolinyl)ethoxy]phenyl]sulfonylamino]-4-oxobutanoic acid IUPAC Name: 3-[[4-acetamido-2-(2-quinolin-5-ylethoxy)phenyl]sulfonylamino]-4-oxobutanoic acid Traditional Name: 3-[[4-acetamido-2-[2-(5-quinolyl)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=C3C=CC=NC3=CC=C2

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)S(=O)(=O)NC(CC(=O)O)C=O)OCCC2=C3C=CC=NC3=CC=C2

InChI

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