N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-8-ethoxy-quinoline-5-sulfonamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-8-ethoxy-quinoline-5-sulfonamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-8-ethoxy-quinoline-5-sulfonamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-8-ethoxy-5-quinolinesulfonamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-8-ethoxyquinoline-5-sulfonamide Traditional Name: 8-ethoxy-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)quinoline-5-sulfonamide Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=C(C=C1)S(=O)(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C)C=CC=N2

Isomeric SMILES

CCOC1=C2C(=C(C=C1)S(=O)(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C)C=CC=N2

InChI

InChI=1S/C22H22N4O4S/c1-4-30-18-12-13-19(17-11-8-14-23-21(17)18)31(28,29)24-20-15(2)25(3)26(22(20)27)16-9-6-5-7-10-16/h5-14,24H,4H2,1-3H3