N-[3,4-bis(fluoranyl)phenyl]-4-methylsulfanyl-3-pyrrolidin-1-ylcarbonyl-benzenesulfonamide

Systemtic Name: N-[3,4-bis(fluoranyl)phenyl]-4-methylsulfanyl-3-pyrrolidin-1-ylcarbonyl-benzenesulfonamide Openeye Name: N-(3,4-difluorophenyl)-4-methylsulfanyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide CAS Name: N-(3,4-difluorophenyl)-4-(methylthio)-3-[oxo(1-pyrrolidinyl)methyl]benzenesulfonamide IUPAC Name: N-(3,4-difluorophenyl)-4-methylsulfanyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide Traditional Name: N-(3,4-difluorophenyl)-4-(methylthio)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide Formula: C18H18F2N2O3S2 MolecularWeight: 412.473926

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)F)F)C(=O)N3CCCC3

Isomeric SMILES

CSC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)F)F)C(=O)N3CCCC3

InChI

InChI=1S/C18H18F2N2O3S2/c1-26-17-7-5-13(11-14(17)18(23)22-8-2-3-9-22)27(24,25)21-12-4-6-15(19)16(20)10-12/h4-7,10-11,21H,2-3,8-9H2,1H3