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NS4

Summary
Name:N-[2-(cyclohexyloxy)-4-nitrophenyl]methanesulfonamide
Formula:C13 H18 N2 O5 S
Formal charge:0
Formula weight:314.357 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-[2-(cyclohexyloxy)-4-nitrophenyl]methanesulfonamide
OpenEye OEToolkits1.7.0N-(2-cyclohexyloxy-4-nitro-phenyl)methanesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01[O-][N+](=O)c2cc(OC1CCCCC1)c(NS(=O)(=O)C)cc2
SMILES_CANONICALCACTVS3.370C[S](=O)(=O)Nc1ccc(cc1OC2CCCCC2)[N+]([O-])=O
SMILESCACTVS3.370C[S](=O)(=O)Nc1ccc(cc1OC2CCCCC2)[N+]([O-])=O
SMILES_CANONICALOpenEye OEToolkits1.7.0CS(=O)(=O)Nc1ccc(cc1OC2CCCCC2)[N+](=O)[O-]
SMILESOpenEye OEToolkits1.7.0CS(=O)(=O)Nc1ccc(cc1OC2CCCCC2)[N+](=O)[O-]
InChIInChI1.03InChI=1S/C13H18N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h7-9,11,14H,2-6H2,1H3
InChIKeyInChI1.03KTDZCOWXCWUPEO-UHFFFAOYSA-N

223532

PDB entries from 2024-08-07

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