N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2,4,6-trimethyl-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]benzenesulfonamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2,4,6-trimethyl-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]benzenesulfonamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2,4,6-trimethyl-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]benzenesulfonamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2,4,6-trimethyl-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]benzenesulfonamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,4,6-trimethyl-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]benzenesulfonamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-2,4,6-trimethyl-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]benzenesulfonamide Formula: C29H30N4O7S MolecularWeight: 578.6361

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N(CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C4=C(N(N(C4=O)C5=CC=CC=C5)C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N(CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C4=C(N(N(C4=O)C5=CC=CC=C5)C)C)C

InChI

InChI=1S/C29H30N4O7S/c1-18-11-19(2)28(20(3)12-18)41(37,38)31(15-22-13-25(33(35)36)14-23-16-39-17-40-27(22)23)26-21(4)30(5)32(29(26)34)24-9-7-6-8-10-24/h6-14H,15-17H2,1-5H3