3-[4-[(2E)-2-[3-(2,2-dimethylpropyl)-5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]hydrazinyl]-5-methyl-3-oxidanylidene-1H-pyrazol-2-yl]benzenesulfonamide

Systemtic Name: 3-[4-[(2E)-2-[3-(2,2-dimethylpropyl)-5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]hydrazinyl]-5-methyl-3-oxidanylidene-1H-pyrazol-2-yl]benzenesulfonamide Openeye Name: 3-[4-[(2E)-2-[3-(2,2-dimethylpropyl)-5-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene]hydrazino]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzenesulfonamide CAS Name: 3-[4-[(2E)-2-[3-(2,2-dimethylpropyl)-5-nitro-6-oxo-1-cyclohexa-2,4-dienylidene]hydrazinyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzenesulfonamide IUPAC Name: 3-[4-[(2E)-2-[3-(2,2-dimethylpropyl)-5-nitro-6-oxocyclohexa-2,4-dien-1-ylidene]hydrazinyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzenesulfonamide Traditional Name: 3-[5-keto-4-[(N'E)-N'-(6-keto-3-neopentyl-5-nitro-cyclohexa-2,4-dien-1-ylidene)hydrazino]-3-methyl-3-pyrazolin-1-yl]benzenesulfonamide Formula: C21H24N6O6S MolecularWeight: 488.51686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC(=CC=C2)S(=O)(=O)N)NN=C3C=C(C=C(C3=O)[N+](=O)[O-])CC(C)(C)C

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC(=CC=C2)S(=O)(=O)N)N/N=C/3\C=C(C=C(C3=O)[N+](=O)[O-])CC(C)(C)C

InChI

InChI=1S/C21H24N6O6S/c1-12-18(20(29)26(25-12)14-6-5-7-15(10-14)34(22,32)33)24-23-16-8-13(11-21(2,3)4)9-17(19(16)28)27(30)31/h5-10,24-25H,11H2,1-4H3,(H2,22,32,33)/b23-16+