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

Systemtic Name: N-[2-[bis(fluoranyl)methylsulfanyl]phenyl]-2-bromanyl-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 2-bromo-N-[2-(difluoromethylsulfanyl)phenyl]-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 2-bromo-N-[2-(difluoromethylthio)phenyl]-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 2-bromo-N-[2-(difluoromethylsulfanyl)phenyl]-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 2-bromo-N-[2-(difluoromethylthio)phenyl]-5-pyrrolidinosulfonyl-benzamide Formula: C18H17BrF2N2O3S2 MolecularWeight: 491.369986

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)NC3=CC=CC=C3SC(F)F

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)NC3=CC=CC=C3SC(F)F

InChI

InChI=1S/C18H17BrF2N2O3S2/c19-14-8-7-12(28(25,26)23-9-3-4-10-23)11-13(14)17(24)22-15-5-1-2-6-16(15)27-18(20)21/h1-2,5-8,11,18H,3-4,9-10H2,(H,22,24)