2-[[3-[(3,4-dichlorophenyl)methylsulfanyl]thiophen-2-yl]carbonylsulfamoyl]benzoic acid

Systemtic Name: 2-[[3-[(3,4-dichlorophenyl)methylsulfanyl]thiophen-2-yl]carbonylsulfamoyl]benzoic acid Openeye Name: 2-[[3-[(3,4-dichlorophenyl)methylsulfanyl]thiophene-2-carbonyl]sulfamoyl]benzoic acid CAS Name: 2-[[[3-[(3,4-dichlorophenyl)methylthio]-2-thiophenyl]-oxomethyl]sulfamoyl]benzoic acid IUPAC Name: 2-[[3-[(3,4-dichlorophenyl)methylsulfanyl]thiophene-2-carbonyl]sulfamoyl]benzoic acid Traditional Name: 2-[[3-[(3,4-dichlorobenzyl)thio]thiophene-2-carbonyl]sulfamoyl]benzoic acid Formula: C19H13Cl2NO5S3 MolecularWeight: 502.41122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)S(=O)(=O)NC(=O)C2=C(C=CS2)SCC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)S(=O)(=O)NC(=O)C2=C(C=CS2)SCC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C19H13Cl2NO5S3/c20-13-6-5-11(9-14(13)21)10-29-15-7-8-28-17(15)18(23)22-30(26,27)16-4-2-1-3-12(16)19(24)25/h1-9H,10H2,(H,22,23)(H,24,25)