2-bromanyl-5-[2-(thiophen-3-ylmethylsulfanyl)ethylsulfamoyl]benzoic acid

Systemtic Name: 2-bromanyl-5-[2-(thiophen-3-ylmethylsulfanyl)ethylsulfamoyl]benzoic acid Openeye Name: 2-bromo-5-[2-(3-thienylmethylsulfanyl)ethylsulfamoyl]benzoic acid CAS Name: 2-bromo-5-[2-(3-thiophenylmethylthio)ethylsulfamoyl]benzoic acid IUPAC Name: 2-bromo-5-[2-(thiophen-3-ylmethylsulfanyl)ethylsulfamoyl]benzoic acid Traditional Name: 2-bromo-5-[2-(3-thenylthio)ethylsulfamoyl]benzoic acid Formula: C14H14BrNO4S3 MolecularWeight: 436.36426

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)NCCSCC2=CSC=C2)C(=O)O)Br

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)NCCSCC2=CSC=C2)C(=O)O)Br

InChI

InChI=1S/C14H14BrNO4S3/c15-13-2-1-11(7-12(13)14(17)18)23(19,20)16-4-6-22-9-10-3-5-21-8-10/h1-3,5,7-8,16H,4,6,9H2,(H,17,18)