4-[bis(fluoranyl)methylsulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide

Systemtic Name: 4-[bis(fluoranyl)methylsulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide Openeye Name: 4-(difluoromethylsulfanyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide CAS Name: 4-(difluoromethylthio)-N-[4-(1-pyrrolidinylsulfonyl)phenyl]benzamide IUPAC Name: 4-(difluoromethylsulfanyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide Traditional Name: 4-(difluoromethylthio)-N-(4-pyrrolidinosulfonylphenyl)benzamide Formula: C18H18F2N2O3S2 MolecularWeight: 412.473926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)SC(F)F

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)SC(F)F

InChI

InChI=1S/C18H18F2N2O3S2/c19-18(20)26-15-7-3-13(4-8-15)17(23)21-14-5-9-16(10-6-14)27(24,25)22-11-1-2-12-22/h3-10,18H,1-2,11-12H2,(H,21,23)