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

Systemtic Name: 3-[[4-aminocarbonyl-2-(2-quinolin-5-ylethoxy)phenyl]sulfonylamino]-3-cyano-propanoic acid Openeye Name: 3-[[4-carbamoyl-2-[2-(5-quinolyl)ethoxy]phenyl]sulfonylamino]-3-cyano-propanoic acid CAS Name: 3-[[4-carbamoyl-2-[2-(5-quinolinyl)ethoxy]phenyl]sulfonylamino]-3-cyanopropanoic acid IUPAC Name: 3-[[4-carbamoyl-2-(2-quinolin-5-ylethoxy)phenyl]sulfonylamino]-3-cyanopropanoic acid Traditional Name: 3-[[4-carbamoyl-2-[2-(5-quinolyl)ethoxy]phenyl]sulfonylamino]-3-cyano-propionic acid Formula: C22H20N4O6S MolecularWeight: 468.4824

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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#N

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4O6S/c23-13-16(12-21(27)28)26-33(30,31)20-7-6-15(22(24)29)11-19(20)32-10-8-14-3-1-5-18-17(14)4-2-9-25-18/h1-7,9,11,16,26H,8,10,12H2,(H2,24,29)(H,27,28)