3-[[4-acetamido-2-[2-(2-chloranylquinolin-5-yl)ethoxy]phenyl]sulfonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[[4-acetamido-2-[2-(2-chloranylquinolin-5-yl)ethoxy]phenyl]sulfonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[4-acetamido-2-[2-(2-chloro-5-quinolyl)ethoxy]phenyl]sulfonylamino]-4-oxo-butanoic acid CAS Name: 3-[[4-acetamido-2-[2-(2-chloro-5-quinolinyl)ethoxy]phenyl]sulfonylamino]-4-oxobutanoic acid IUPAC Name: 3-[[4-acetamido-2-[2-(2-chloroquinolin-5-yl)ethoxy]phenyl]sulfonylamino]-4-oxobutanoic acid Traditional Name: 3-[[4-acetamido-2-[2-(2-chloro-5-quinolyl)ethoxy]phenyl]sulfonylamino]-4-keto-butyric acid Formula: C23H22ClN3O7S MolecularWeight: 519.95468

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H22ClN3O7S/c1-14(29)25-16-5-7-21(35(32,33)27-17(13-28)12-23(30)31)20(11-16)34-10-9-15-3-2-4-19-18(15)6-8-22(24)26-19/h2-8,11,13,17,27H,9-10,12H2,1H3,(H,25,29)(H,30,31)