propyl 3,4-dimethyl-5-sulfamoyl-benzoate

Systemtic Name: propyl 3,4-dimethyl-5-sulfamoyl-benzoate Openeye Name: propyl 3,4-dimethyl-5-sulfamoyl-benzoate CAS Name: 3,4-dimethyl-5-sulfamoylbenzoic acid propyl ester IUPAC Name: propyl 3,4-dimethyl-5-sulfamoylbenzoate Traditional Name: 3,4-dimethyl-5-sulfamoyl-benzoic acid propyl ester Formula: C12H17NO4S MolecularWeight: 271.33268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO4S/c1-4-5-17-12(14)10-6-8(2)9(3)11(7-10)18(13,15)16/h6-7H,4-5H2,1-3H3,(H2,13,15,16)