5-[bis(2-methoxyethyl)sulfamoyl]-2-[(3-bromophenyl)methylsulfanyl]benzoic acid

Systemtic Name: 5-[bis(2-methoxyethyl)sulfamoyl]-2-[(3-bromophenyl)methylsulfanyl]benzoic acid Openeye Name: 5-[bis(2-methoxyethyl)sulfamoyl]-2-[(3-bromophenyl)methylsulfanyl]benzoic acid CAS Name: 5-[bis(2-methoxyethyl)sulfamoyl]-2-[(3-bromophenyl)methylthio]benzoic acid IUPAC Name: 5-[bis(2-methoxyethyl)sulfamoyl]-2-[(3-bromophenyl)methylsulfanyl]benzoic acid Traditional Name: 5-[bis(2-methoxyethyl)sulfamoyl]-2-[(3-bromobenzyl)thio]benzoic acid Formula: C20H24BrNO6S2 MolecularWeight: 518.44166

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CCOC)S(=O)(=O)C1=CC(=C(C=C1)SCC2=CC(=CC=C2)Br)C(=O)O

Isomeric SMILES

COCCN(CCOC)S(=O)(=O)C1=CC(=C(C=C1)SCC2=CC(=CC=C2)Br)C(=O)O

InChI

InChI=1S/C20H24BrNO6S2/c1-27-10-8-22(9-11-28-2)30(25,26)17-6-7-19(18(13-17)20(23)24)29-14-15-4-3-5-16(21)12-15/h3-7,12-13H,8-11,14H2,1-2H3,(H,23,24)