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H8X

Summary
Name:N-[(2R)-3-carbazol-9-yl-2-oxidanyl-propyl]-N-(furan-2-ylmethyl)methanesulfonamide
Formula:C21 H22 N2 O4 S
Formal charge:0
Formula weight:398.475 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7~{N}-[(2~{R})-3-carbazol-9-yl-2-oxidanyl-propyl]-~{N}-(furan-2-ylmethyl)methanesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C21H22N2O4S/c1-28(25,26)22(15-17-7-6-12-27-17)13-16(24)14-23-20-10-4-2-8-18(20)19-9-3-5-11-21(19)23/h2-12,16,24H,13-15H2,1H3/t16-/m0/s1
InChIKeyInChI1.03OQAFDLPAPSSOHY-INIZCTEOSA-N
SMILES_CANONICALCACTVS3.385C[S](=O)(=O)N(C[C@H](O)Cn1c2ccccc2c3ccccc13)Cc4occc4
SMILESCACTVS3.385C[S](=O)(=O)N(C[CH](O)Cn1c2ccccc2c3ccccc13)Cc4occc4
SMILES_CANONICALOpenEye OEToolkits2.0.7CS(=O)(=O)N(Cc1ccco1)C[C@@H](Cn2c3ccccc3c4c2cccc4)O
SMILESOpenEye OEToolkits2.0.7CS(=O)(=O)N(Cc1ccco1)CC(Cn2c3ccccc3c4c2cccc4)O

223790

PDB entries from 2024-08-14

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