4-[2-[[(1Z)-1-(5-oxidanylidene-1-phenyl-3-propyl-pyrazol-4-ylidene)ethyl]amino]ethyl]benzenesulfonamide

Systemtic Name: 4-[2-[[(1Z)-1-(5-oxidanylidene-1-phenyl-3-propyl-pyrazol-4-ylidene)ethyl]amino]ethyl]benzenesulfonamide Openeye Name: 4-[2-[[(1Z)-1-(5-oxo-1-phenyl-3-propyl-pyrazol-4-ylidene)ethyl]amino]ethyl]benzenesulfonamide CAS Name: 4-[2-[[(1Z)-1-(5-oxo-1-phenyl-3-propyl-4-pyrazolylidene)ethyl]amino]ethyl]benzenesulfonamide IUPAC Name: 4-[2-[[(1Z)-1-(5-oxo-1-phenyl-3-propylpyrazol-4-ylidene)ethyl]amino]ethyl]benzenesulfonamide Traditional Name: 4-[2-[[(1Z)-1-(5-keto-1-phenyl-3-propyl-2-pyrazolin-4-ylidene)ethyl]amino]ethyl]benzenesulfonamide Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=C(C)NCCC2=CC=C(C=C2)S(=O)(=O)N)C3=CC=CC=C3

Isomeric SMILES

CCCC\1=NN(C(=O)/C1=C(/C)\NCCC2=CC=C(C=C2)S(=O)(=O)N)C3=CC=CC=C3

InChI

InChI=1S/C22H26N4O3S/c1-3-7-20-21(22(27)26(25-20)18-8-5-4-6-9-18)16(2)24-15-14-17-10-12-19(13-11-17)30(23,28)29/h4-6,8-13,24H,3,7,14-15H2,1-2H3,(H2,23,28,29)/b21-16-