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O42

Summary
Name:4-[4-(phenylcarbonyl)piperazin-1-yl]carbonylbenzenesulfonamide
Formula:C18 H19 N3 O4 S
Formal charge:0
Formula weight:373.426 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.74-[4-(phenylcarbonyl)piperazin-1-yl]carbonylbenzenesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C18H19N3O4S/c19-26(24,25)16-8-6-15(7-9-16)18(23)21-12-10-20(11-13-21)17(22)14-4-2-1-3-5-14/h1-9H,10-13H2,(H2,19,24,25)
InChIKeyInChI1.03TXDAONSRHLRCLF-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCN(CC2)C(=O)c3ccccc3
SMILESCACTVS3.385N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCN(CC2)C(=O)c3ccccc3
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(cc1)C(=O)N2CCN(CC2)C(=O)c3ccc(cc3)S(=O)(=O)N
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)C(=O)N2CCN(CC2)C(=O)c3ccc(cc3)S(=O)(=O)N

223532

數據於2024-08-07公開中

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