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

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-iodanyl-4-methoxy-benzenesulfonamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-iodo-4-methoxy-benzenesulfonamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-iodo-4-methoxybenzenesulfonamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-iodo-4-methoxybenzenesulfonamide Traditional Name: 3-iodo-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-4-methoxy-benzenesulfonamide Formula: C18H18IN3O4S MolecularWeight: 499.32269

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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)I

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC(=C(C=C3)OC)I

InChI

InChI=1S/C18H18IN3O4S/c1-12-17(18(23)22(21(12)2)13-7-5-4-6-8-13)20-27(24,25)14-9-10-16(26-3)15(19)11-14/h4-11,20H,1-3H3