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A1CGR

Summary
Name:N-{[4-(methanesulfonyl)phenyl]methyl}-N'-{[(3R)-oxolan-3-yl]methyl}urea
Formula:C14 H20 N2 O4 S
Formal charge:0
Formula weight:312.385 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52N-{[4-(methanesulfonyl)phenyl]methyl}-N'-{[(3R)-oxolan-3-yl]methyl}urea
OpenEye OEToolkits3.1.0.01-[(4-methylsulfonylphenyl)methyl]-3-[[(3~{R})-oxolan-3-yl]methyl]urea

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=C(NCC1CCOC1)NCc1ccc(cc1)S(C)(=O)=O
InChIInChI1.06InChI=1S/C14H20N2O4S/c1-21(18,19)13-4-2-11(3-5-13)8-15-14(17)16-9-12-6-7-20-10-12/h2-5,12H,6-10H2,1H3,(H2,15,16,17)/t12-/m1/s1
InChIKeyInChI1.06KXBPKQJBIPGTRF-GFCCVEGCSA-N
SMILES_CANONICALCACTVS3.385C[S](=O)(=O)c1ccc(CNC(=O)NC[C@H]2CCOC2)cc1
SMILESCACTVS3.385C[S](=O)(=O)c1ccc(CNC(=O)NC[CH]2CCOC2)cc1
SMILES_CANONICALOpenEye OEToolkits3.1.0.0CS(=O)(=O)c1ccc(cc1)CNC(=O)NC[C@H]2CCOC2
SMILESOpenEye OEToolkits3.1.0.0CS(=O)(=O)c1ccc(cc1)CNC(=O)NCC2CCOC2

247947

PDB entries from 2026-01-21

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