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

Systemtic Name: N-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide Openeye Name: N-(4-methyl-3-morpholinosulfonyl-phenyl)-9,10,10-trioxo-thioxanthene-3-carboxamide CAS Name: N-[4-methyl-3-(4-morpholinylsulfonyl)phenyl]-9,10,10-trioxo-3-thioxanthenecarboxamide IUPAC Name: N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-9,10,10-trioxothioxanthene-3-carboxamide Traditional Name: 9,10,10-triketo-N-(4-methyl-3-morpholinosulfonyl-phenyl)thioxanthene-3-carboxamide Formula: C25H22N2O7S2 MolecularWeight: 526.58138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O)S(=O)(=O)N5CCOCC5

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C25H22N2O7S2/c1-16-6-8-18(15-22(16)36(32,33)27-10-12-34-13-11-27)26-25(29)17-7-9-20-23(14-17)35(30,31)21-5-3-2-4-19(21)24(20)28/h2-9,14-15H,10-13H2,1H3,(H,26,29)