4-[3-(3,3-dimethyl-2-oxidanylidene-butoxy)-4-(4-fluorophenyl)-1H-pyrazol-5-yl]benzenesulfonamide

Systemtic Name: 4-[3-(3,3-dimethyl-2-oxidanylidene-butoxy)-4-(4-fluorophenyl)-1H-pyrazol-5-yl]benzenesulfonamide Openeye Name: 4-[3-(3,3-dimethyl-2-oxo-butoxy)-4-(4-fluorophenyl)-1H-pyrazol-5-yl]benzenesulfonamide CAS Name: 4-[3-(3,3-dimethyl-2-oxobutoxy)-4-(4-fluorophenyl)-1H-pyrazol-5-yl]benzenesulfonamide IUPAC Name: 4-[3-(3,3-dimethyl-2-oxobutoxy)-4-(4-fluorophenyl)-1H-pyrazol-5-yl]benzenesulfonamide Traditional Name: 4-[4-(4-fluorophenyl)-3-(2-keto-3,3-dimethyl-butoxy)-1H-pyrazol-5-yl]benzenesulfonamide Formula: C21H22FN3O4S MolecularWeight: 431.480483

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC1=NNC(=C1C2=CC=C(C=C2)F)C3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CC(C)(C)C(=O)COC1=NNC(=C1C2=CC=C(C=C2)F)C3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C21H22FN3O4S/c1-21(2,3)17(26)12-29-20-18(13-4-8-15(22)9-5-13)19(24-25-20)14-6-10-16(11-7-14)30(23,27)28/h4-11H,12H2,1-3H3,(H,24,25)(H2,23,27,28)