N-(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide

Systemtic Name: N-(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide Openeye Name: N-(2-methoxy-5-morpholinosulfonyl-phenyl)-9,10,10-trioxo-thioxanthene-3-carboxamide CAS Name: N-[2-methoxy-5-(4-morpholinylsulfonyl)phenyl]-9,10,10-trioxo-3-thioxanthenecarboxamide IUPAC Name: N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-9,10,10-trioxothioxanthene-3-carboxamide Traditional Name: 9,10,10-triketo-N-(2-methoxy-5-morpholinosulfonyl-phenyl)thioxanthene-3-carboxamide Formula: C25H22N2O8S2 MolecularWeight: 542.58078

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O

InChI

InChI=1S/C25H22N2O8S2/c1-34-21-9-7-17(37(32,33)27-10-12-35-13-11-27)15-20(21)26-25(29)16-6-8-19-23(14-16)36(30,31)22-5-3-2-4-18(22)24(19)28/h2-9,14-15H,10-13H2,1H3,(H,26,29)