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7CO

Summary
Name:2,6-difluoro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzene-1-sulfonamide
Formula:C16 H14 F2 N2 O3 S
Formal charge:0
Formula weight:352.356 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012,6-difluoro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzene-1-sulfonamide
OpenEye OEToolkits2.0.62,6-bis(fluoranyl)-~{N}-[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]benzenesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c2c(NS(=O)(c1c(F)cccc1F)=O)cccc2N3CCCC3=O
InChIInChI1.03InChI=1S/C16H14F2N2O3S/c17-13-6-2-7-14(18)16(13)24(22,23)19-11-4-1-5-12(10-11)20-9-3-8-15(20)21/h1-2,4-7,10,19H,3,8-9H2
InChIKeyInChI1.03URBCFGISMUKQSQ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Fc1cccc(F)c1[S](=O)(=O)Nc2cccc(c2)N3CCCC3=O
SMILESCACTVS3.385Fc1cccc(F)c1[S](=O)(=O)Nc2cccc(c2)N3CCCC3=O
SMILES_CANONICALOpenEye OEToolkits2.0.6c1cc(cc(c1)N2CCCC2=O)NS(=O)(=O)c3c(cccc3F)F
SMILESOpenEye OEToolkits2.0.6c1cc(cc(c1)N2CCCC2=O)NS(=O)(=O)c3c(cccc3F)F

223532

PDB entries from 2024-08-07

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