4-[(2-methylphenyl)methylsulfamoyl]butanoate

Systemtic Name: 4-[(2-methylphenyl)methylsulfamoyl]butanoate Openeye Name: 4-(o-tolylmethylsulfamoyl)butanoate CAS Name: 4-[(2-methylphenyl)methylsulfamoyl]butanoate IUPAC Name: 4-[(2-methylphenyl)methylsulfamoyl]butanoate Traditional Name: 4-[(2-methylbenzyl)sulfamoyl]butyrate Formula: C12H16NO4S- MolecularWeight: 270.32474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNS(=O)(=O)CCCC(=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CNS(=O)(=O)CCCC(=O)[O-]

InChI

InChI=1S/C12H17NO4S/c1-10-5-2-3-6-11(10)9-13-18(16,17)8-4-7-12(14)15/h2-3,5-6,13H,4,7-9H2,1H3,(H,14,15)/p-1