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

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4-(2-methylpropylamino)-3-nitro-benzenesulfonamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-4-(isobutylamino)-3-nitro-benzenesulfonamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-4-(2-methylpropylamino)-3-nitrobenzenesulfonamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(2-methylpropylamino)-3-nitrobenzenesulfonamide Traditional Name: 4-(isobutylamino)-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-nitro-benzenesulfonamide Formula: C21H25N5O5S MolecularWeight: 459.5187

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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)NCC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC(=C(C=C3)NCC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H25N5O5S/c1-14(2)13-22-18-11-10-17(12-19(18)26(28)29)32(30,31)23-20-15(3)24(4)25(21(20)27)16-8-6-5-7-9-16/h5-12,14,22-23H,13H2,1-4H3