3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(E)-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methylideneamino]benzamide

Systemtic Name: 3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(E)-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methylideneamino]benzamide Openeye Name: 3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(E)-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methyleneamino]benzamide CAS Name: 3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(E)-[3-nitro-4-(2-pyrimidinylthio)phenyl]methylideneamino]benzamide IUPAC Name: 3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(E)-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)methylideneamino]benzamide Traditional Name: 3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(E)-[3-nitro-4-(2-pyrimidylthio)benzylidene]amino]benzamide Formula: C26H22N6O5S2 MolecularWeight: 562.62008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NN=CC3=CC(=C(C=C3)SC4=NC=CC=N4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)N/N=C/C3=CC(=C(C=C3)SC4=NC=CC=N4)[N+](=O)[O-])C

InChI

InChI=1S/C26H22N6O5S2/c1-17-7-9-22(18(2)13-17)31-39(36,37)21-6-3-5-20(15-21)25(33)30-29-16-19-8-10-24(23(14-19)32(34)35)38-26-27-11-4-12-28-26/h3-16,31H,1-2H3,(H,30,33)/b29-16+