N-[2-[bis(fluoranyl)methylsulfanyl]phenyl]-4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[2-[bis(fluoranyl)methylsulfanyl]phenyl]-4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[2-(difluoromethylsulfanyl)phenyl]-4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[2-(difluoromethylthio)phenyl]-4-methoxy-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[2-(difluoromethylsulfanyl)phenyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[2-(difluoromethylthio)phenyl]-4-methoxy-3-pyrrolidinosulfonyl-benzamide Formula: C19H20F2N2O4S2 MolecularWeight: 442.499906

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2SC(F)F)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2SC(F)F)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C19H20F2N2O4S2/c1-27-15-9-8-13(12-17(15)29(25,26)23-10-4-5-11-23)18(24)22-14-6-2-3-7-16(14)28-19(20)21/h2-3,6-9,12,19H,4-5,10-11H2,1H3,(H,22,24)