4-[[1-[3-methyl-1-(4-nitrophenyl)-5-oxidanylidene-pyrazol-4-ylidene]ethylamino]methyl]benzenesulfonamide

Systemtic Name: 4-[[1-[3-methyl-1-(4-nitrophenyl)-5-oxidanylidene-pyrazol-4-ylidene]ethylamino]methyl]benzenesulfonamide Openeye Name: 4-[[1-[3-methyl-1-(4-nitrophenyl)-5-oxo-pyrazol-4-ylidene]ethylamino]methyl]benzenesulfonamide CAS Name: 4-[[1-[3-methyl-1-(4-nitrophenyl)-5-oxo-4-pyrazolylidene]ethylamino]methyl]benzenesulfonamide IUPAC Name: 4-[[1-[3-methyl-1-(4-nitrophenyl)-5-oxopyrazol-4-ylidene]ethylamino]methyl]benzenesulfonamide Traditional Name: 4-[[1-[5-keto-3-methyl-1-(4-nitrophenyl)-2-pyrazolin-4-ylidene]ethylamino]methyl]benzenesulfonamide Formula: C19H19N5O5S MolecularWeight: 429.44966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C19H19N5O5S/c1-12(21-11-14-3-9-17(10-4-14)30(20,28)29)18-13(2)22-23(19(18)25)15-5-7-16(8-6-15)24(26)27/h3-10,21H,11H2,1-2H3,(H2,20,28,29)