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7CN

Summary
Name:3-bromo-N-[3-(2-oxo-2,3-dihydro-1H-pyrrol-1-yl)phenyl]benzene-1-sulfonamide
Formula:C16 H13 Br N2 O3 S
Formal charge:0
Formula weight:393.255 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-bromo-N-[3-(2-oxo-2,3-dihydro-1H-pyrrol-1-yl)phenyl]benzene-1-sulfonamide
OpenEye OEToolkits2.0.63-bromanyl-~{N}-[3-(2-oxidanylidene-3~{H}-pyrrol-1-yl)phenyl]benzenesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C3C(N(c2cccc(NS(=O)(=O)c1cccc(Br)c1)c2)C=C3)=O
InChIInChI1.03InChI=1S/C16H13BrN2O3S/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/h1-7,9-11,18H,8H2
InChIKeyInChI1.03DJIRSBLLCJUATA-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Brc1cccc(c1)[S](=O)(=O)Nc2cccc(c2)N3C=CCC3=O
SMILESCACTVS3.385Brc1cccc(c1)[S](=O)(=O)Nc2cccc(c2)N3C=CCC3=O
SMILES_CANONICALOpenEye OEToolkits2.0.6c1cc(cc(c1)N2C=CCC2=O)NS(=O)(=O)c3cccc(c3)Br
SMILESOpenEye OEToolkits2.0.6c1cc(cc(c1)N2C=CCC2=O)NS(=O)(=O)c3cccc(c3)Br

219515

PDB entries from 2024-05-08

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