methyl 4-methyl-2-propyl-5-sulfamoyl-benzoate

Systemtic Name: methyl 4-methyl-2-propyl-5-sulfamoyl-benzoate Openeye Name: methyl 4-methyl-2-propyl-5-sulfamoyl-benzoate CAS Name: 4-methyl-2-propyl-5-sulfamoylbenzoic acid methyl ester IUPAC Name: methyl 4-methyl-2-propyl-5-sulfamoylbenzoate Traditional Name: 4-methyl-2-propyl-5-sulfamoyl-benzoic acid methyl ester Formula: C12H17NO4S MolecularWeight: 271.33268

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1C(=O)OC)S(=O)(=O)N)C

Isomeric SMILES

CCCC1=CC(=C(C=C1C(=O)OC)S(=O)(=O)N)C

InChI

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