methyl 2-butyl-4-methyl-5-sulfamoyl-benzoate

Systemtic Name: methyl 2-butyl-4-methyl-5-sulfamoyl-benzoate Openeye Name: methyl 2-butyl-4-methyl-5-sulfamoyl-benzoate CAS Name: 2-butyl-4-methyl-5-sulfamoylbenzoic acid methyl ester IUPAC Name: methyl 2-butyl-4-methyl-5-sulfamoylbenzoate Traditional Name: 2-butyl-4-methyl-5-sulfamoyl-benzoic acid methyl ester Formula: C13H19NO4S MolecularWeight: 285.35926

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1C(=O)OC)S(=O)(=O)N)C

Isomeric SMILES

CCCCC1=CC(=C(C=C1C(=O)OC)S(=O)(=O)N)C

InChI

InChI=1S/C13H19NO4S/c1-4-5-6-10-7-9(2)12(19(14,16)17)8-11(10)13(15)18-3/h7-8H,4-6H2,1-3H3,(H2,14,16,17)