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RLS

Summary
Name:(4R)-1-methyl-4-{4-[(piperidin-1-yl)sulfonyl]phenyl}pyrrolidin-2-one
Formula:C16 H22 N2 O3 S
Formal charge:0
Formula weight:322.422 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(4R)-1-methyl-4-{4-[(piperidin-1-yl)sulfonyl]phenyl}pyrrolidin-2-one
OpenEye OEToolkits2.0.7(4~{R})-1-methyl-4-(4-piperidin-1-ylsulfonylphenyl)pyrrolidin-2-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CN1C(CC(C1)c2ccc(cc2)S(N3CCCCC3)(=O)=O)=O
InChIInChI1.03InChI=1S/C16H22N2O3S/c1-17-12-14(11-16(17)19)13-5-7-15(8-6-13)22(20,21)18-9-3-2-4-10-18/h5-8,14H,2-4,9-12H2,1H3/t14-/m0/s1
InChIKeyInChI1.03FJZVEOQSYSYUQK-AWEZNQCLSA-N
SMILES_CANONICALCACTVS3.385CN1C[C@H](CC1=O)c2ccc(cc2)[S](=O)(=O)N3CCCCC3
SMILESCACTVS3.385CN1C[CH](CC1=O)c2ccc(cc2)[S](=O)(=O)N3CCCCC3
SMILES_CANONICALOpenEye OEToolkits2.0.7CN1C[C@H](CC1=O)c2ccc(cc2)S(=O)(=O)N3CCCCC3
SMILESOpenEye OEToolkits2.0.7CN1CC(CC1=O)c2ccc(cc2)S(=O)(=O)N3CCCCC3

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數據於2024-07-17公開中

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