[(Z)-[azanyl(pyridin-4-yl)methylidene]amino] 4-[methyl-(4-nitrophenyl)sulfonyl-amino]butanoate

Systemtic Name: [(Z)-[azanyl(pyridin-4-yl)methylidene]amino] 4-[methyl-(4-nitrophenyl)sulfonyl-amino]butanoate Openeye Name: [(Z)-[amino(4-pyridyl)methylene]amino] 4-[methyl-(4-nitrophenyl)sulfonyl-amino]butanoate CAS Name: 4-[methyl-(4-nitrophenyl)sulfonylamino]butanoic acid [(Z)-[amino(pyridin-4-yl)methylidene]amino] ester IUPAC Name: [(Z)-[amino(pyridin-4-yl)methylidene]amino] 4-[methyl-(4-nitrophenyl)sulfonylamino]butanoate Traditional Name: 4-[methyl(nosyl)amino]butyric acid [(Z)-[amino(4-pyridyl)methylene]amino] ester Formula: C17H19N5O6S MolecularWeight: 421.42766

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)ON=C(C1=CC=NC=C1)N)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CN(CCCC(=O)O/N=C(/C1=CC=NC=C1)\N)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H19N5O6S/c1-21(29(26,27)15-6-4-14(5-7-15)22(24)25)12-2-3-16(23)28-20-17(18)13-8-10-19-11-9-13/h4-11H,2-3,12H2,1H3,(H2,18,20)