3-[(3-bromophenyl)methylsulfanyl]-5-(diphenylsulfamoyl)benzoic acid

Systemtic Name: 3-[(3-bromophenyl)methylsulfanyl]-5-(diphenylsulfamoyl)benzoic acid Openeye Name: 3-[(3-bromophenyl)methylsulfanyl]-5-(diphenylsulfamoyl)benzoic acid CAS Name: 3-[(3-bromophenyl)methylthio]-5-(diphenylsulfamoyl)benzoic acid IUPAC Name: 3-[(3-bromophenyl)methylsulfanyl]-5-(diphenylsulfamoyl)benzoic acid Traditional Name: 3-[(3-bromobenzyl)thio]-5-(diphenylsulfamoyl)benzoic acid Formula: C26H20BrNO4S2 MolecularWeight: 554.4753

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(C2=CC=CC=C2)S(=O)(=O)C3=CC(=CC(=C3)SCC4=CC(=CC=C4)Br)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N(C2=CC=CC=C2)S(=O)(=O)C3=CC(=CC(=C3)SCC4=CC(=CC=C4)Br)C(=O)O

InChI

InChI=1S/C26H20BrNO4S2/c27-21-9-7-8-19(14-21)18-33-24-15-20(26(29)30)16-25(17-24)34(31,32)28(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-17H,18H2,(H,29,30)