N4-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)benzene-1,4-disulfonamide

Systemtic Name: N4-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)benzene-1,4-disulfonamide Openeye Name: N4-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)benzene-1,4-disulfonamide CAS Name: N4-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)benzene-1,4-disulfonamide IUPAC Name: 4-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzene-1,4-disulfonamide Traditional Name: N'-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)benzene-1,4-disulfonamide Formula: C17H18N4O5S2 MolecularWeight: 422.47862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O5S2/c1-12-16(17(22)21(20(12)2)13-6-4-3-5-7-13)19-28(25,26)15-10-8-14(9-11-15)27(18,23)24/h3-11,19H,1-2H3,(H2,18,23,24)