methyl 4-(butan-2-ylsulfamoylmethyl)benzoate

Systemtic Name: methyl 4-(butan-2-ylsulfamoylmethyl)benzoate Openeye Name: methyl 4-(sec-butylsulfamoylmethyl)benzoate CAS Name: 4-(butan-2-ylsulfamoylmethyl)benzoic acid methyl ester IUPAC Name: methyl 4-(butan-2-ylsulfamoylmethyl)benzoate Traditional Name: 4-(sec-butylsulfamoylmethyl)benzoic acid methyl ester Formula: C13H19NO4S MolecularWeight: 285.35926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NS(=O)(=O)CC1=CC=C(C=C1)C(=O)OC

Isomeric SMILES

CCC(C)NS(=O)(=O)CC1=CC=C(C=C1)C(=O)OC

InChI

InChI=1S/C13H19NO4S/c1-4-10(2)14-19(16,17)9-11-5-7-12(8-6-11)13(15)18-3/h5-8,10,14H,4,9H2,1-3H3