4-[bis(fluoranyl)methylsulfanyl]-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)benzamide

Systemtic Name: 4-[bis(fluoranyl)methylsulfanyl]-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)benzamide Openeye Name: 4-(difluoromethylsulfanyl)-N-(5-morpholinosulfonyl-2-pyrrolidin-1-yl-phenyl)benzamide CAS Name: 4-(difluoromethylthio)-N-[5-(4-morpholinylsulfonyl)-2-(1-pyrrolidinyl)phenyl]benzamide IUPAC Name: 4-(difluoromethylsulfanyl)-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)benzamide Traditional Name: 4-(difluoromethylthio)-N-(5-morpholinosulfonyl-2-pyrrolidino-phenyl)benzamide Formula: C22H25F2N3O4S2 MolecularWeight: 497.578406

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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=CC=C(C=C4)SC(F)F

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)C4=CC=C(C=C4)SC(F)F

InChI

InChI=1S/C22H25F2N3O4S2/c23-22(24)32-17-5-3-16(4-6-17)21(28)25-19-15-18(7-8-20(19)26-9-1-2-10-26)33(29,30)27-11-13-31-14-12-27/h3-8,15,22H,1-2,9-14H2,(H,25,28)