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V1H

Summary
Name:3-methoxy-1-(4-methylphenyl)sulfonyl-azetidine
Formula:C11 H15 N O3 S
Formal charge:0
Formula weight:241.307 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.73-methoxy-1-(4-methylphenyl)sulfonyl-azetidine

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C11H15NO3S/c1-9-3-5-11(6-4-9)16(13,14)12-7-10(8-12)15-2/h3-6,10H,7-8H2,1-2H3
InChIKeyInChI1.03FVWRQPKSKSFJCP-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COC1CN(C1)[S](=O)(=O)c2ccc(C)cc2
SMILESCACTVS3.385COC1CN(C1)[S](=O)(=O)c2ccc(C)cc2
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1ccc(cc1)S(=O)(=O)N2CC(C2)OC
SMILESOpenEye OEToolkits2.0.7Cc1ccc(cc1)S(=O)(=O)N2CC(C2)OC

222415

PDB entries from 2024-07-10

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