4-[5-(3,3-dimethyl-2-oxidanylidene-butoxy)-2-ethyl-4-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide

Systemtic Name: 4-[5-(3,3-dimethyl-2-oxidanylidene-butoxy)-2-ethyl-4-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide Openeye Name: 4-[5-(3,3-dimethyl-2-oxo-butoxy)-2-ethyl-4-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide CAS Name: 4-[5-(3,3-dimethyl-2-oxobutoxy)-2-ethyl-4-(4-fluorophenyl)-3-pyrazolyl]benzenesulfonamide IUPAC Name: 4-[5-(3,3-dimethyl-2-oxobutoxy)-2-ethyl-4-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide Traditional Name: 4-[2-ethyl-4-(4-fluorophenyl)-5-(2-keto-3,3-dimethyl-butoxy)pyrazol-3-yl]benzenesulfonamide Formula: C23H26FN3O4S MolecularWeight: 459.533643

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)OCC(=O)C(C)(C)C)C2=CC=C(C=C2)F)C3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CCN1C(=C(C(=N1)OCC(=O)C(C)(C)C)C2=CC=C(C=C2)F)C3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C23H26FN3O4S/c1-5-27-21(16-8-12-18(13-9-16)32(25,29)30)20(15-6-10-17(24)11-7-15)22(26-27)31-14-19(28)23(2,3)4/h6-13H,5,14H2,1-4H3,(H2,25,29,30)