N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide

Systemtic Name: N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide Openeye Name: N-(5-morpholinosulfonyl-2-pyrrolidin-1-yl-phenyl)-9,10,10-trioxo-thioxanthene-3-carboxamide CAS Name: N-[5-(4-morpholinylsulfonyl)-2-(1-pyrrolidinyl)phenyl]-9,10,10-trioxo-3-thioxanthenecarboxamide IUPAC Name: N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-9,10,10-trioxothioxanthene-3-carboxamide Traditional Name: 9,10,10-triketo-N-(5-morpholinosulfonyl-2-pyrrolidino-phenyl)thioxanthene-3-carboxamide Formula: C28H27N3O7S2 MolecularWeight: 581.65988

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)C4=CC5=C(C=C4)C(=O)C6=CC=CC=C6S5(=O)=O

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)C4=CC5=C(C=C4)C(=O)C6=CC=CC=C6S5(=O)=O

InChI

InChI=1S/C28H27N3O7S2/c32-27-21-5-1-2-6-25(21)39(34,35)26-17-19(7-9-22(26)27)28(33)29-23-18-20(8-10-24(23)30-11-3-4-12-30)40(36,37)31-13-15-38-16-14-31/h1-2,5-10,17-18H,3-4,11-16H2,(H,29,33)