N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4-ethanoyl-2,3-dihydro-1,4-benzothiazine-6-sulfonamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4-ethanoyl-2,3-dihydro-1,4-benzothiazine-6-sulfonamide Openeye Name: 4-acetyl-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2,3-dihydro-1,4-benzothiazine-6-sulfonamide CAS Name: 4-acetyl-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2,3-dihydro-1,4-benzothiazine-6-sulfonamide IUPAC Name: 4-acetyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,3-dihydro-1,4-benzothiazine-6-sulfonamide Traditional Name: 4-acetyl-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-2,3-dihydro-1,4-benzothiazine-6-sulfonamide Formula: C21H22N4O4S2 MolecularWeight: 458.55378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC4=C(C=C3)SCCN4C(=O)C

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC4=C(C=C3)SCCN4C(=O)C

InChI

InChI=1S/C21H22N4O4S2/c1-14-20(21(27)25(23(14)3)16-7-5-4-6-8-16)22-31(28,29)17-9-10-19-18(13-17)24(15(2)26)11-12-30-19/h4-10,13,22H,11-12H2,1-3H3