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

Systemtic Name: 3-[5-(3,3-dimethyl-2-oxidanylidene-butoxy)-2-ethyl-4-(4-fluorophenyl)pyrazol-3-yl]-N,N-diethyl-benzenesulfonamide Openeye Name: 3-[5-(3,3-dimethyl-2-oxo-butoxy)-2-ethyl-4-(4-fluorophenyl)pyrazol-3-yl]-N,N-diethyl-benzenesulfonamide CAS Name: 3-[5-(3,3-dimethyl-2-oxobutoxy)-2-ethyl-4-(4-fluorophenyl)-3-pyrazolyl]-N,N-diethylbenzenesulfonamide IUPAC Name: 3-[5-(3,3-dimethyl-2-oxobutoxy)-2-ethyl-4-(4-fluorophenyl)pyrazol-3-yl]-N,N-diethylbenzenesulfonamide Traditional Name: N,N-diethyl-3-[2-ethyl-4-(4-fluorophenyl)-5-(2-keto-3,3-dimethyl-butoxy)pyrazol-3-yl]benzenesulfonamide Formula: C27H34FN3O4S MolecularWeight: 515.639963

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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(=CC=C3)S(=O)(=O)N(CC)CC

Isomeric SMILES

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

InChI

InChI=1S/C27H34FN3O4S/c1-7-30(8-2)36(33,34)22-12-10-11-20(17-22)25-24(19-13-15-21(28)16-14-19)26(29-31(25)9-3)35-18-23(32)27(4,5)6/h10-17H,7-9,18H2,1-6H3