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7CJ

Summary
Name:3-fluoro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzene-1-sulfonamide
Formula:C16 H15 F N2 O3 S
Formal charge:0
Formula weight:334.365 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-fluoro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzene-1-sulfonamide
OpenEye OEToolkits2.0.63-fluoranyl-~{N}-[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]benzenesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C3CCN(c2cccc(NS(=O)(c1cccc(c1)F)=O)c2)C3=O
InChIInChI1.03InChI=1S/C16H15FN2O3S/c17-12-4-1-7-15(10-12)23(21,22)18-13-5-2-6-14(11-13)19-9-3-8-16(19)20/h1-2,4-7,10-11,18H,3,8-9H2
InChIKeyInChI1.03QCAZSKHGEORRCN-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Fc1cccc(c1)[S](=O)(=O)Nc2cccc(c2)N3CCCC3=O
SMILESCACTVS3.385Fc1cccc(c1)[S](=O)(=O)Nc2cccc(c2)N3CCCC3=O
SMILES_CANONICALOpenEye OEToolkits2.0.6c1cc(cc(c1)N2CCCC2=O)NS(=O)(=O)c3cccc(c3)F
SMILESOpenEye OEToolkits2.0.6c1cc(cc(c1)N2CCCC2=O)NS(=O)(=O)c3cccc(c3)F

223532

PDB entries from 2024-08-07

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