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

Systemtic Name: 4-chloranyl-N-(1-methyl-3-oxidanylidene-2-phenyl-5-propan-2-yl-pyrazol-4-yl)-3-nitro-benzenesulfonamide Openeye Name: 4-chloro-N-(5-isopropyl-1-methyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-nitro-benzenesulfonamide CAS Name: 4-chloro-N-(1-methyl-3-oxo-2-phenyl-5-propan-2-yl-4-pyrazolyl)-3-nitrobenzenesulfonamide IUPAC Name: 4-chloro-N-(1-methyl-3-oxo-2-phenyl-5-propan-2-ylpyrazol-4-yl)-3-nitrobenzenesulfonamide Traditional Name: 4-chloro-N-(5-isopropyl-3-keto-1-methyl-2-phenyl-3-pyrazolin-4-yl)-3-nitro-benzenesulfonamide Formula: C19H19ClN4O5S MolecularWeight: 450.89596

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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)Cl)[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)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H19ClN4O5S/c1-12(2)18-17(19(25)23(22(18)3)13-7-5-4-6-8-13)21-30(28,29)14-9-10-15(20)16(11-14)24(26)27/h4-12,21H,1-3H3