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

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4-methoxy-3-nitro-benzenesulfonamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-4-methoxy-3-nitro-benzenesulfonamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-4-methoxy-3-nitrobenzenesulfonamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-methoxy-3-nitrobenzenesulfonamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-4-methoxy-3-nitro-benzenesulfonamide Formula: C18H18N4O6S MolecularWeight: 418.42372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O6S/c1-12-17(18(23)21(20(12)2)13-7-5-4-6-8-13)19-29(26,27)14-9-10-16(28-3)15(11-14)22(24)25/h4-11,19H,1-3H3