3-nitro-N-[(E)-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methylideneamino]benzenesulfonamide

Systemtic Name: 3-nitro-N-[(E)-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methylideneamino]benzenesulfonamide Openeye Name: 3-nitro-N-[(E)-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methyleneamino]benzenesulfonamide CAS Name: 3-nitro-N-[(E)-[3-nitro-4-(2-pyrimidinylthio)phenyl]methylideneamino]benzenesulfonamide IUPAC Name: 3-nitro-N-[(E)-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)methylideneamino]benzenesulfonamide Traditional Name: 3-nitro-N-[(E)-[3-nitro-4-(2-pyrimidylthio)benzylidene]amino]benzenesulfonamide Formula: C17H12N6O6S2 MolecularWeight: 460.44378

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)NN=CC2=CC(=C(C=C2)SC3=NC=CC=N3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)N/N=C/C2=CC(=C(C=C2)SC3=NC=CC=N3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H12N6O6S2/c24-22(25)13-3-1-4-14(10-13)31(28,29)21-20-11-12-5-6-16(15(9-12)23(26)27)30-17-18-7-2-8-19-17/h1-11,21H/b20-11+