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

Systemtic Name: 2-chloranyl-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-5-nitro-benzenesulfonamide Openeye Name: 2-chloro-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-5-nitro-benzenesulfonamide CAS Name: 2-chloro-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-5-nitrobenzenesulfonamide IUPAC Name: 2-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-nitrobenzenesulfonamide Traditional Name: 2-chloro-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-5-nitro-benzenesulfonamide Formula: C17H15ClN4O5S MolecularWeight: 422.8428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15ClN4O5S/c1-11-16(17(23)21(20(11)2)12-6-4-3-5-7-12)19-28(26,27)15-10-13(22(24)25)8-9-14(15)18/h3-10,19H,1-2H3