N-(2,6-dimethoxypyridin-3-yl)-N-methylsulfonyl-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide

Systemtic Name: N-(2,6-dimethoxypyridin-3-yl)-N-methylsulfonyl-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide Openeye Name: N-(2,6-dimethoxy-3-pyridyl)-N-methylsulfonyl-9,10,10-trioxo-thioxanthene-3-carboxamide CAS Name: N-(2,6-dimethoxy-3-pyridinyl)-N-methylsulfonyl-9,10,10-trioxo-3-thioxanthenecarboxamide IUPAC Name: N-(2,6-dimethoxypyridin-3-yl)-N-methylsulfonyl-9,10,10-trioxothioxanthene-3-carboxamide Traditional Name: N-(2,6-dimethoxy-3-pyridyl)-9,10,10-triketo-N-mesyl-thioxanthene-3-carboxamide Formula: C22H18N2O8S2 MolecularWeight: 502.51692

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=C(C=C1)N(C(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O)S(=O)(=O)C)OC

Isomeric SMILES

COC1=NC(=C(C=C1)N(C(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O)S(=O)(=O)C)OC

InChI

InChI=1S/C22H18N2O8S2/c1-31-19-11-10-16(21(23-19)32-2)24(33(3,27)28)22(26)13-8-9-15-18(12-13)34(29,30)17-7-5-4-6-14(17)20(15)25/h4-12H,1-3H3