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

Systemtic Name: 4-[[[(1Z)-1-[1-(4-nitrophenyl)-5-oxidanylidene-3-propyl-pyrazol-4-ylidene]ethyl]amino]methyl]benzenesulfonamide Openeye Name: 4-[[[(1Z)-1-[1-(4-nitrophenyl)-5-oxo-3-propyl-pyrazol-4-ylidene]ethyl]amino]methyl]benzenesulfonamide CAS Name: 4-[[[(1Z)-1-[1-(4-nitrophenyl)-5-oxo-3-propyl-4-pyrazolylidene]ethyl]amino]methyl]benzenesulfonamide IUPAC Name: 4-[[[(1Z)-1-[1-(4-nitrophenyl)-5-oxo-3-propylpyrazol-4-ylidene]ethyl]amino]methyl]benzenesulfonamide Traditional Name: 4-[[[(1Z)-1-[5-keto-1-(4-nitrophenyl)-3-propyl-2-pyrazolin-4-ylidene]ethyl]amino]methyl]benzenesulfonamide Formula: C21H23N5O5S MolecularWeight: 457.50282

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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=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O5S/c1-3-4-19-20(14(2)23-13-15-5-11-18(12-6-15)32(22,30)31)21(27)25(24-19)16-7-9-17(10-8-16)26(28)29/h5-12,23H,3-4,13H2,1-2H3,(H2,22,30,31)/b20-14-