N-(2,6-dimethoxypyridin-3-yl)-N-methylsulfonyl-3-nitro-4-pyridin-2-ylsulfanyl-benzamide

Systemtic Name: N-(2,6-dimethoxypyridin-3-yl)-N-methylsulfonyl-3-nitro-4-pyridin-2-ylsulfanyl-benzamide Openeye Name: N-(2,6-dimethoxy-3-pyridyl)-N-methylsulfonyl-3-nitro-4-(2-pyridylsulfanyl)benzamide CAS Name: N-(2,6-dimethoxy-3-pyridinyl)-N-methylsulfonyl-3-nitro-4-(2-pyridinylthio)benzamide IUPAC Name: N-(2,6-dimethoxypyridin-3-yl)-N-methylsulfonyl-3-nitro-4-pyridin-2-ylsulfanylbenzamide Traditional Name: N-(2,6-dimethoxy-3-pyridyl)-N-mesyl-3-nitro-4-(2-pyridylthio)benzamide Formula: C20H18N4O7S2 MolecularWeight: 490.50952

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=C(C=C1)N(C(=O)C2=CC(=C(C=C2)SC3=CC=CC=N3)[N+](=O)[O-])S(=O)(=O)C)OC

Isomeric SMILES

COC1=NC(=C(C=C1)N(C(=O)C2=CC(=C(C=C2)SC3=CC=CC=N3)[N+](=O)[O-])S(=O)(=O)C)OC

InChI

InChI=1S/C20H18N4O7S2/c1-30-17-10-8-14(19(22-17)31-2)23(33(3,28)29)20(25)13-7-9-16(15(12-13)24(26)27)32-18-6-4-5-11-21-18/h4-12H,1-3H3