4-[[[(1E)-1-(5-oxidanylidene-1-phenyl-3-propyl-pyrazol-4-ylidene)ethyl]amino]methyl]benzenesulfonamide

Systemtic Name: 4-[[[(1E)-1-(5-oxidanylidene-1-phenyl-3-propyl-pyrazol-4-ylidene)ethyl]amino]methyl]benzenesulfonamide Openeye Name: 4-[[[(1E)-1-(5-oxo-1-phenyl-3-propyl-pyrazol-4-ylidene)ethyl]amino]methyl]benzenesulfonamide CAS Name: 4-[[[(1E)-1-(5-oxo-1-phenyl-3-propyl-4-pyrazolylidene)ethyl]amino]methyl]benzenesulfonamide IUPAC Name: 4-[[[(1E)-1-(5-oxo-1-phenyl-3-propylpyrazol-4-ylidene)ethyl]amino]methyl]benzenesulfonamide Traditional Name: 4-[[[(1E)-1-(5-keto-1-phenyl-3-propyl-2-pyrazolin-4-ylidene)ethyl]amino]methyl]benzenesulfonamide Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=C(C)NCC2=CC=C(C=C2)S(=O)(=O)N)C3=CC=CC=C3

Isomeric SMILES

CCCC\1=NN(C(=O)/C1=C(\C)/NCC2=CC=C(C=C2)S(=O)(=O)N)C3=CC=CC=C3

InChI

InChI=1S/C21H24N4O3S/c1-3-7-19-20(21(26)25(24-19)17-8-5-4-6-9-17)15(2)23-14-16-10-12-18(13-11-16)29(22,27)28/h4-6,8-13,23H,3,7,14H2,1-2H3,(H2,22,27,28)/b20-15+