3-[4-(quinolin-8-ylsulfonylamino)quinazolin-2-yl]propanoic acid

Systemtic Name: 3-[4-(quinolin-8-ylsulfonylamino)quinazolin-2-yl]propanoic acid Openeye Name: 3-[4-(8-quinolylsulfonylamino)quinazolin-2-yl]propanoic acid CAS Name: 3-[4-(8-quinolinylsulfonylamino)-2-quinazolinyl]propanoic acid IUPAC Name: 3-[4-(quinolin-8-ylsulfonylamino)quinazolin-2-yl]propanoic acid Traditional Name: 3-[4-(8-quinolylsulfonylamino)quinazolin-2-yl]propionic acid Formula: C20H16N4O4S MolecularWeight: 408.43044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)CCC(=O)O)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)CCC(=O)O)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C20H16N4O4S/c25-18(26)11-10-17-22-15-8-2-1-7-14(15)20(23-17)24-29(27,28)16-9-3-5-13-6-4-12-21-19(13)16/h1-9,12H,10-11H2,(H,25,26)(H,22,23,24)