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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CNCCC2=CC=C(C=C2)S(=O)(=O)N)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=O)C1=CNCCC2=CC=C(C=C2)S(=O)(=O)N)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O5S/c1-13-18(12-21-11-10-14-2-8-17(9-3-14)30(20,28)29)19(25)23(22-13)15-4-6-16(7-5-15)24(26)27/h2-9,12,21H,10-11H2,1H3,(H2,20,28,29)