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

Systemtic Name: N-(1-methyl-3-oxidanylidene-2-phenyl-5-propan-2-yl-pyrazol-4-yl)-4-nitro-benzenesulfonamide Openeye Name: N-(5-isopropyl-1-methyl-3-oxo-2-phenyl-pyrazol-4-yl)-4-nitro-benzenesulfonamide CAS Name: N-(1-methyl-3-oxo-2-phenyl-5-propan-2-yl-4-pyrazolyl)-4-nitrobenzenesulfonamide IUPAC Name: N-(1-methyl-3-oxo-2-phenyl-5-propan-2-ylpyrazol-4-yl)-4-nitrobenzenesulfonamide Traditional Name: N-(5-isopropyl-3-keto-1-methyl-2-phenyl-3-pyrazolin-4-yl)-4-nitro-benzenesulfonamide Formula: C19H20N4O5S MolecularWeight: 416.4509

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O5S/c1-13(2)18-17(19(24)22(21(18)3)14-7-5-4-6-8-14)20-29(27,28)16-11-9-15(10-12-16)23(25)26/h4-13,20H,1-3H3