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

Systemtic Name: 4-[[(1Z)-1-[3-methyl-1-(4-nitrophenyl)-5-oxidanylidene-pyrazol-4-ylidene]ethyl]amino]benzenesulfonamide Openeye Name: 4-[[(1Z)-1-[3-methyl-1-(4-nitrophenyl)-5-oxo-pyrazol-4-ylidene]ethyl]amino]benzenesulfonamide CAS Name: 4-[[(1Z)-1-[3-methyl-1-(4-nitrophenyl)-5-oxo-4-pyrazolylidene]ethyl]amino]benzenesulfonamide IUPAC Name: 4-[[(1Z)-1-[3-methyl-1-(4-nitrophenyl)-5-oxopyrazol-4-ylidene]ethyl]amino]benzenesulfonamide Traditional Name: 4-[[(1Z)-1-[5-keto-3-methyl-1-(4-nitrophenyl)-2-pyrazolin-4-ylidene]ethyl]amino]benzenesulfonamide Formula: C18H17N5O5S MolecularWeight: 415.42308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=C(C)NC2=CC=C(C=C2)S(=O)(=O)N)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC\1=NN(C(=O)/C1=C(/C)\NC2=CC=C(C=C2)S(=O)(=O)N)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O5S/c1-11(20-13-3-9-16(10-4-13)29(19,27)28)17-12(2)21-22(18(17)24)14-5-7-15(8-6-14)23(25)26/h3-10,20H,1-2H3,(H2,19,27,28)/b17-11-