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

Systemtic Name: 3-[[4-aminocarbonyl-2-(2-quinolin-5-ylethoxy)phenyl]sulfonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[4-carbamoyl-2-[2-(5-quinolyl)ethoxy]phenyl]sulfonylamino]-4-oxo-butanoic acid CAS Name: 3-[[4-carbamoyl-2-[2-(5-quinolinyl)ethoxy]phenyl]sulfonylamino]-4-oxobutanoic acid IUPAC Name: 3-[[4-carbamoyl-2-(2-quinolin-5-ylethoxy)phenyl]sulfonylamino]-4-oxobutanoic acid Traditional Name: 3-[[4-carbamoyl-2-[2-(5-quinolyl)ethoxy]phenyl]sulfonylamino]-4-keto-butyric acid Formula: C22H21N3O7S MolecularWeight: 471.48304

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C=CC=NC2=C1)CCOC3=C(C=CC(=C3)C(=O)N)S(=O)(=O)NC(CC(=O)O)C=O

Isomeric SMILES

C1=CC(=C2C=CC=NC2=C1)CCOC3=C(C=CC(=C3)C(=O)N)S(=O)(=O)NC(CC(=O)O)C=O

InChI

InChI=1S/C22H21N3O7S/c23-22(29)15-6-7-20(33(30,31)25-16(13-26)12-21(27)28)19(11-15)32-10-8-14-3-1-5-18-17(14)4-2-9-24-18/h1-7,9,11,13,16,25H,8,10,12H2,(H2,23,29)(H,27,28)