4-[[[1-(4-fluorophenyl)-5-oxidanylidene-3-propyl-pyrazol-4-ylidene]methylamino]methyl]benzenesulfonamide

Systemtic Name: 4-[[[1-(4-fluorophenyl)-5-oxidanylidene-3-propyl-pyrazol-4-ylidene]methylamino]methyl]benzenesulfonamide Openeye Name: 4-[[[1-(4-fluorophenyl)-5-oxo-3-propyl-pyrazol-4-ylidene]methylamino]methyl]benzenesulfonamide CAS Name: 4-[[[1-(4-fluorophenyl)-5-oxo-3-propyl-4-pyrazolylidene]methylamino]methyl]benzenesulfonamide IUPAC Name: 4-[[[1-(4-fluorophenyl)-5-oxo-3-propylpyrazol-4-ylidene]methylamino]methyl]benzenesulfonamide Traditional Name: 4-[[[1-(4-fluorophenyl)-5-keto-3-propyl-2-pyrazolin-4-ylidene]methylamino]methyl]benzenesulfonamide Formula: C20H21FN4O3S MolecularWeight: 416.469143

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=CNCC2=CC=C(C=C2)S(=O)(=O)N)C3=CC=C(C=C3)F

Isomeric SMILES

CCCC1=NN(C(=O)C1=CNCC2=CC=C(C=C2)S(=O)(=O)N)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H21FN4O3S/c1-2-3-19-18(20(26)25(24-19)16-8-6-15(21)7-9-16)13-23-12-14-4-10-17(11-5-14)29(22,27)28/h4-11,13,23H,2-3,12H2,1H3,(H2,22,27,28)