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BZN

Summary
Name:N-({(3R,4R)-4-[(benzyloxy)methyl]pyrrolidin-3-yl}methyl)-N-(2-methylpropyl)benzenesulfonamide
Synonyms:N-((3R,4R)-4-Benzyloxymethyl-pyrrolidin-3-ylmethyl)-N-isobutyl-benzene sulfonamide
Formula:C23 H32 N2 O3 S
Formal charge:0
Formula weight:416.577 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04N-({(3R,4R)-4-[(benzyloxy)methyl]pyrrolidin-3-yl}methyl)-N-(2-methylpropyl)benzenesulfonamide
OpenEye OEToolkits1.5.0N-(2-methylpropyl)-N-[[(3R,4R)-4-(phenylmethoxymethyl)pyrrolidin-3-yl]methyl]benzenesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=S(=O)(c1ccccc1)N(CC(C)C)CC3CNCC3COCc2ccccc2
SMILES_CANONICALCACTVS3.341CC(C)CN(C[C@H]1CNC[C@@H]1COCc2ccccc2)[S](=O)(=O)c3ccccc3
SMILESCACTVS3.341CC(C)CN(C[CH]1CNC[CH]1COCc2ccccc2)[S](=O)(=O)c3ccccc3
SMILES_CANONICALOpenEye OEToolkits1.5.0CC(C)CN(C[C@H]1CNC[C@@H]1COCc2ccccc2)S(=O)(=O)c3ccccc3
SMILESOpenEye OEToolkits1.5.0CC(C)CN(CC1CNCC1COCc2ccccc2)S(=O)(=O)c3ccccc3
InChIInChI1.03InChI=1S/C23H32N2O3S/c1-19(2)15-25(29(26,27)23-11-7-4-8-12-23)16-21-13-24-14-22(21)18-28-17-20-9-5-3-6-10-20/h3-12,19,21-22,24H,13-18H2,1-2H3/t21-,22-/m1/s1
InChIKeyInChI1.03DGURGFSAQIBQCO-FGZHOGPDSA-N

223532

數據於2024-08-07公開中

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