methyl 2-(3-oxidanylpropylsulfanyl)-5-sulfamoyl-benzoate

Systemtic Name: methyl 2-(3-oxidanylpropylsulfanyl)-5-sulfamoyl-benzoate Openeye Name: methyl 2-(3-hydroxypropylsulfanyl)-5-sulfamoyl-benzoate CAS Name: 2-(3-hydroxypropylthio)-5-sulfamoylbenzoic acid methyl ester IUPAC Name: methyl 2-(3-hydroxypropylsulfanyl)-5-sulfamoylbenzoate Traditional Name: 2-(3-hydroxypropylthio)-5-sulfamoyl-benzoic acid methyl ester Formula: C11H15NO5S2 MolecularWeight: 305.3705

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N)SCCCO

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N)SCCCO

InChI

InChI=1S/C11H15NO5S2/c1-17-11(14)9-7-8(19(12,15)16)3-4-10(9)18-6-2-5-13/h3-4,7,13H,2,5-6H2,1H3,(H2,12,15,16)