4-chloranyl-3-[2-(thiophen-3-ylmethylsulfanyl)ethylsulfamoyl]benzoic acid

Systemtic Name: 4-chloranyl-3-[2-(thiophen-3-ylmethylsulfanyl)ethylsulfamoyl]benzoic acid Openeye Name: 4-chloro-3-[2-(3-thienylmethylsulfanyl)ethylsulfamoyl]benzoic acid CAS Name: 4-chloro-3-[2-(3-thiophenylmethylthio)ethylsulfamoyl]benzoic acid IUPAC Name: 4-chloro-3-[2-(thiophen-3-ylmethylsulfanyl)ethylsulfamoyl]benzoic acid Traditional Name: 4-chloro-3-[2-(3-thenylthio)ethylsulfamoyl]benzoic acid Formula: C14H14ClNO4S3 MolecularWeight: 391.91326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)S(=O)(=O)NCCSCC2=CSC=C2)Cl

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)S(=O)(=O)NCCSCC2=CSC=C2)Cl

InChI

InChI=1S/C14H14ClNO4S3/c15-12-2-1-11(14(17)18)7-13(12)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)