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

Systemtic Name: 4-chloranyl-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-nitro-benzenesulfonamide Openeye Name: 4-chloro-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-nitro-benzenesulfonamide CAS Name: 4-chloro-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-nitrobenzenesulfonamide IUPAC Name: 4-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-nitrobenzenesulfonamide Traditional Name: 4-chloro-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-2-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=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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