4-methyl-3-(3-methylbutylsulfamoyl)benzoate

Systemtic Name: 4-methyl-3-(3-methylbutylsulfamoyl)benzoate Openeye Name: 3-(isopentylsulfamoyl)-4-methyl-benzoate CAS Name: 4-methyl-3-(3-methylbutylsulfamoyl)benzoate IUPAC Name: 4-methyl-3-(3-methylbutylsulfamoyl)benzoate Traditional Name: 3-(isoamylsulfamoyl)-4-methyl-benzoate Formula: C13H18NO4S- MolecularWeight: 284.35132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO4S/c1-9(2)6-7-14-19(17,18)12-8-11(13(15)16)5-4-10(12)3/h4-5,8-9,14H,6-7H2,1-3H3,(H,15,16)/p-1