4-[2-[[1-(4-nitrophenyl)-5-oxidanylidene-3-propyl-pyrazol-4-ylidene]methylamino]ethyl]benzenesulfonamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=CNCCC2=CC=C(C=C2)S(=O)(=O)N)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCC1=NN(C(=O)C1=CNCCC2=CC=C(C=C2)S(=O)(=O)N)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O5S/c1-2-3-20-19(14-23-13-12-15-4-10-18(11-5-15)32(22,30)31)21(27)25(24-20)16-6-8-17(9-7-16)26(28)29/h4-11,14,23H,2-3,12-13H2,1H3,(H2,22,30,31)