N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-1-(3-nitrophenyl)methanesulfonamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-1-(3-nitrophenyl)methanesulfonamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-1-(3-nitrophenyl)methanesulfonamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-1-(3-nitrophenyl)methanesulfonamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-(3-nitrophenyl)methanesulfonamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-1-(3-nitrophenyl)methanesulfonamide Formula: C18H18N4O5S MolecularWeight: 402.42432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)CC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O5S/c1-13-17(18(23)21(20(13)2)15-8-4-3-5-9-15)19-28(26,27)12-14-7-6-10-16(11-14)22(24)25/h3-11,19H,12H2,1-2H3