N-[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-2-oxidanylidene-3H-1,3-benzoxazole-6-sulfonamide

Systemtic Name: N-[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-2-oxidanylidene-3H-1,3-benzoxazole-6-sulfonamide Openeye Name: N-[4-cyano-2-(4-methyl-2-quinolyl)pyrazol-3-yl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide CAS Name: N-[4-cyano-2-(4-methyl-2-quinolinyl)-3-pyrazolyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide IUPAC Name: N-[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide Traditional Name: N-[4-cyano-2-(4-methyl-2-quinolyl)pyrazol-3-yl]-2-keto-3H-1,3-benzoxazole-6-sulfonamide Formula: C21H14N6O4S MolecularWeight: 446.43866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)N3C(=C(C=N3)C#N)NS(=O)(=O)C4=CC5=C(C=C4)NC(=O)O5

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)N3C(=C(C=N3)C#N)NS(=O)(=O)C4=CC5=C(C=C4)NC(=O)O5

InChI

InChI=1S/C21H14N6O4S/c1-12-8-19(24-16-5-3-2-4-15(12)16)27-20(13(10-22)11-23-27)26-32(29,30)14-6-7-17-18(9-14)31-21(28)25-17/h2-9,11,26H,1H3,(H,25,28)