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A19

Summary
Name:5-BROMO-2-{[(4-CHLOROPHENYL)SULFONYL]AMINO}BENZOIC ACID
Formula:C13 H9 Br Cl N O4 S
Formal charge:0
Formula weight:390.637 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.045-bromo-2-{[(4-chlorophenyl)sulfonyl]amino}benzoic acid
OpenEye OEToolkits1.5.05-bromo-2-[(4-chlorophenyl)sulfonylamino]benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Brc2cc(c(NS(=O)(=O)c1ccc(Cl)cc1)cc2)C(=O)O
SMILES_CANONICALCACTVS3.341OC(=O)c1cc(Br)ccc1N[S](=O)(=O)c2ccc(Cl)cc2
SMILESCACTVS3.341OC(=O)c1cc(Br)ccc1N[S](=O)(=O)c2ccc(Cl)cc2
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc(ccc1S(=O)(=O)Nc2ccc(cc2C(=O)O)Br)Cl
SMILESOpenEye OEToolkits1.5.0c1cc(ccc1S(=O)(=O)Nc2ccc(cc2C(=O)O)Br)Cl
InChIInChI1.03InChI=1S/C13H9BrClNO4S/c14-8-1-6-12(11(7-8)13(17)18)16-21(19,20)10-4-2-9(15)3-5-10/h1-7,16H,(H,17,18)
InChIKeyInChI1.03JDVLYAYDIMUAAC-UHFFFAOYSA-N

223532

数据于2024-08-07公开中

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