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ETP

Summary
Name:3-(4-BENZENESULFONYL-THIOPHENE-2-SULFONYLAMINO)-PHENYLBORONIC ACID
Formula:C16 H14 B N O6 S3
Formal charge:0
Formula weight:423.291 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04[3-({[4-(phenylsulfonyl)thiophen-2-yl]sulfonyl}amino)phenyl]boronic acid
OpenEye OEToolkits1.5.0[3-[[4-(phenylsulfonyl)thiophen-2-yl]sulfonylamino]phenyl]boronic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=S(=O)(c1csc(c1)S(=O)(=O)Nc2cccc(B(O)O)c2)c3ccccc3
SMILES_CANONICALCACTVS3.341OB(O)c1cccc(N[S](=O)(=O)c2scc(c2)[S](=O)(=O)c3ccccc3)c1
SMILESCACTVS3.341OB(O)c1cccc(N[S](=O)(=O)c2scc(c2)[S](=O)(=O)c3ccccc3)c1
SMILES_CANONICALOpenEye OEToolkits1.5.0B(c1cccc(c1)NS(=O)(=O)c2cc(cs2)S(=O)(=O)c3ccccc3)(O)O
SMILESOpenEye OEToolkits1.5.0B(c1cccc(c1)NS(=O)(=O)c2cc(cs2)S(=O)(=O)c3ccccc3)(O)O
InChIInChI1.03InChI=1S/C16H14BNO6S3/c19-17(20)12-5-4-6-13(9-12)18-27(23,24)16-10-15(11-25-16)26(21,22)14-7-2-1-3-8-14/h1-11,18-20H
InChIKeyInChI1.03YZOKHYPIQNIFRQ-UHFFFAOYSA-N

223532

數據於2024-08-07公開中

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