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NIM

Summary
Name:4-NITRO-2-PHENOXYMETHANESULFONANILIDE
Synonyms:NIMESULIDE
Formula:C13 H12 N2 O5 S
Formal charge:0
Formula weight:308.31 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04N-(4-nitro-2-phenoxyphenyl)methanesulfonamide
OpenEye OEToolkits1.5.0N-(4-nitro-2-phenoxy-phenyl)methanesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04[O-][N+](=O)c2cc(Oc1ccccc1)c(cc2)NS(=O)(=O)C
SMILES_CANONICALCACTVS3.341C[S](=O)(=O)Nc1ccc(cc1Oc2ccccc2)[N+]([O-])=O
SMILESCACTVS3.341C[S](=O)(=O)Nc1ccc(cc1Oc2ccccc2)[N+]([O-])=O
SMILES_CANONICALOpenEye OEToolkits1.5.0CS(=O)(=O)Nc1ccc(cc1Oc2ccccc2)[N+](=O)[O-]
SMILESOpenEye OEToolkits1.5.0CS(=O)(=O)Nc1ccc(cc1Oc2ccccc2)[N+](=O)[O-]
InChIInChI1.03InChI=1S/C13H12N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h2-9,14H,1H3
InChIKeyInChI1.03HYWYRSMBCFDLJT-UHFFFAOYSA-N

218500

PDB entries from 2024-04-17

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