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

Systemtic Name: N-(4-cyano-2-quinolin-2-yl-pyrazol-3-yl)-2-oxidanylidene-3H-1,3-benzoxazole-6-sulfonamide Openeye Name: N-[4-cyano-2-(2-quinolyl)pyrazol-3-yl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide CAS Name: N-[4-cyano-2-(2-quinolinyl)-3-pyrazolyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide IUPAC Name: N-(4-cyano-2-quinolin-2-ylpyrazol-3-yl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide Traditional Name: N-[4-cyano-2-(2-quinolyl)pyrazol-3-yl]-2-keto-3H-1,3-benzoxazole-6-sulfonamide Formula: C20H12N6O4S MolecularWeight: 432.41208

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)N3C(=C(C=N3)C#N)NS(=O)(=O)C4=CC5=C(C=C4)NC(=O)O5

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)N3C(=C(C=N3)C#N)NS(=O)(=O)C4=CC5=C(C=C4)NC(=O)O5

InChI

InChI=1S/C20H12N6O4S/c21-10-13-11-22-26(18-8-5-12-3-1-2-4-15(12)23-18)19(13)25-31(28,29)14-6-7-16-17(9-14)30-20(27)24-16/h1-9,11,25H,(H,24,27)