5-[bis(2-methoxyethyl)sulfamoyl]-2-(phenylmethylsulfanyl)benzoic acid

Systemtic Name: 5-[bis(2-methoxyethyl)sulfamoyl]-2-(phenylmethylsulfanyl)benzoic acid Openeye Name: 2-benzylsulfanyl-5-[bis(2-methoxyethyl)sulfamoyl]benzoic acid CAS Name: 5-[bis(2-methoxyethyl)sulfamoyl]-2-(phenylmethylthio)benzoic acid IUPAC Name: 2-benzylsulfanyl-5-[bis(2-methoxyethyl)sulfamoyl]benzoic acid Traditional Name: 2-(benzylthio)-5-[bis(2-methoxyethyl)sulfamoyl]benzoic acid Formula: C20H25NO6S2 MolecularWeight: 439.5456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO6S2/c1-26-12-10-21(11-13-27-2)29(24,25)17-8-9-19(18(14-17)20(22)23)28-15-16-6-4-3-5-7-16/h3-9,14H,10-13,15H2,1-2H3,(H,22,23)