3,4-dimethyl-5-(3-methylbutylsulfamoyl)benzoate

Systemtic Name: 3,4-dimethyl-5-(3-methylbutylsulfamoyl)benzoate Openeye Name: 3-(isopentylsulfamoyl)-4,5-dimethyl-benzoate CAS Name: 3,4-dimethyl-5-(3-methylbutylsulfamoyl)benzoate IUPAC Name: 3,4-dimethyl-5-(3-methylbutylsulfamoyl)benzoate Traditional Name: 3-(isoamylsulfamoyl)-4,5-dimethyl-benzoate Formula: C14H20NO4S- MolecularWeight: 298.3779

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)[O-])S(=O)(=O)NCCC(C)C)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)[O-])S(=O)(=O)NCCC(C)C)C

InChI

InChI=1S/C14H21NO4S/c1-9(2)5-6-15-20(18,19)13-8-12(14(16)17)7-10(3)11(13)4/h7-9,15H,5-6H2,1-4H3,(H,16,17)/p-1