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A1PRC

Summary
Name:N-{4-[(3S)-3-(methanesulfonyl)pyrrolidine-1-carbonyl]phenyl}urea
Formula:C13 H17 N3 O4 S
Formal charge:0
Formula weight:311.357 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52N-{4-[(3S)-3-(methanesulfonyl)pyrrolidine-1-carbonyl]phenyl}urea
OpenEye OEToolkits3.1.0.01-[4-[(3~{S})-3-methylsulfonylpyrrolidin-1-yl]carbonylphenyl]urea

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=S(C)(=O)C1CCN(C1)C(=O)c1ccc(NC(N)=O)cc1
InChIInChI1.06InChI=1S/C13H17N3O4S/c1-21(19,20)11-6-7-16(8-11)12(17)9-2-4-10(5-3-9)15-13(14)18/h2-5,11H,6-8H2,1H3,(H3,14,15,18)/t11-/m0/s1
InChIKeyInChI1.06VYFMDZZDKDBZJT-NSHDSACASA-N
SMILES_CANONICALCACTVS3.385C[S](=O)(=O)[C@H]1CCN(C1)C(=O)c2ccc(NC(N)=O)cc2
SMILESCACTVS3.385C[S](=O)(=O)[CH]1CCN(C1)C(=O)c2ccc(NC(N)=O)cc2
SMILES_CANONICALOpenEye OEToolkits3.1.0.0CS(=O)(=O)[C@H]1CCN(C1)C(=O)c2ccc(cc2)NC(=O)N
SMILESOpenEye OEToolkits3.1.0.0CS(=O)(=O)C1CCN(C1)C(=O)c2ccc(cc2)NC(=O)N

262513

PDB entries from 2026-11-04

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