propyl 3-methylsulfanyl-2-sulfamoyl-benzoate

Systemtic Name: propyl 3-methylsulfanyl-2-sulfamoyl-benzoate Openeye Name: propyl 3-methylsulfanyl-2-sulfamoyl-benzoate CAS Name: 3-(methylthio)-2-sulfamoylbenzoic acid propyl ester IUPAC Name: propyl 3-methylsulfanyl-2-sulfamoylbenzoate Traditional Name: 3-(methylthio)-2-sulfamoyl-benzoic acid propyl ester Formula: C11H15NO4S2 MolecularWeight: 289.3711

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(C(=CC=C1)SC)S(=O)(=O)N

Isomeric SMILES

CCCOC(=O)C1=C(C(=CC=C1)SC)S(=O)(=O)N

InChI

InChI=1S/C11H15NO4S2/c1-3-7-16-11(13)8-5-4-6-9(17-2)10(8)18(12,14)15/h4-6H,3,7H2,1-2H3,(H2,12,14,15)