3-[[4-acetamido-2-(2-quinolin-5-ylethoxy)phenyl]sulfonylamino]-3-cyano-propanoic acid

Systemtic Name: 3-[[4-acetamido-2-(2-quinolin-5-ylethoxy)phenyl]sulfonylamino]-3-cyano-propanoic acid Openeye Name: 3-[[4-acetamido-2-[2-(5-quinolyl)ethoxy]phenyl]sulfonylamino]-3-cyano-propanoic acid CAS Name: 3-[[4-acetamido-2-[2-(5-quinolinyl)ethoxy]phenyl]sulfonylamino]-3-cyanopropanoic acid IUPAC Name: 3-[[4-acetamido-2-(2-quinolin-5-ylethoxy)phenyl]sulfonylamino]-3-cyanopropanoic acid Traditional Name: 3-[[4-acetamido-2-[2-(5-quinolyl)ethoxy]phenyl]sulfonylamino]-3-cyano-propionic acid Formula: C23H22N4O6S MolecularWeight: 482.50898

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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#N)OCCC2=C3C=CC=NC3=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C23H22N4O6S/c1-15(28)26-17-7-8-22(34(31,32)27-18(14-24)13-23(29)30)21(12-17)33-11-9-16-4-2-6-20-19(16)5-3-10-25-20/h2-8,10,12,18,27H,9,11,13H2,1H3,(H,26,28)(H,29,30)