2,3-dimethyl-N-(1-methyl-3-oxidanylidene-2-phenyl-5-propan-2-yl-pyrazol-4-yl)-5-nitro-benzenesulfonamide

Systemtic Name: 2,3-dimethyl-N-(1-methyl-3-oxidanylidene-2-phenyl-5-propan-2-yl-pyrazol-4-yl)-5-nitro-benzenesulfonamide Openeye Name: N-(5-isopropyl-1-methyl-3-oxo-2-phenyl-pyrazol-4-yl)-2,3-dimethyl-5-nitro-benzenesulfonamide CAS Name: 2,3-dimethyl-N-(1-methyl-3-oxo-2-phenyl-5-propan-2-yl-4-pyrazolyl)-5-nitrobenzenesulfonamide IUPAC Name: 2,3-dimethyl-N-(1-methyl-3-oxo-2-phenyl-5-propan-2-ylpyrazol-4-yl)-5-nitrobenzenesulfonamide Traditional Name: N-(5-isopropyl-3-keto-1-methyl-2-phenyl-3-pyrazolin-4-yl)-2,3-dimethyl-5-nitro-benzenesulfonamide Formula: C21H24N4O5S MolecularWeight: 444.50406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O5S/c1-13(2)20-19(21(26)24(23(20)5)16-9-7-6-8-10-16)22-31(29,30)18-12-17(25(27)28)11-14(3)15(18)4/h6-13,22H,1-5H3