(2-azanyl-4-methylsulfonyloxy-butyl) benzoate; methanesulfonic acid

Systemtic Name: (2-azanyl-4-methylsulfonyloxy-butyl) benzoate; methanesulfonic acid Openeye Name: (2-amino-4-methylsulfonyloxy-butyl) benzoate; methanesulfonic acid CAS Name: benzoic acid (2-amino-4-methylsulfonyloxybutyl) ester; methanesulfonic acid IUPAC Name: (2-amino-4-methylsulfonyloxybutyl) benzoate; methanesulfonic acid Traditional Name: benzoic acid (2-amino-4-methylsulfonyloxy-butyl) ester; mesylic acid Formula: C13H21NO8S2 MolecularWeight: 383.43774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.CS(=O)(=O)OCCC(COC(=O)C1=CC=CC=C1)N

Isomeric SMILES

CS(=O)(=O)O.CS(=O)(=O)OCCC(COC(=O)C1=CC=CC=C1)N

InChI

InChI=1S/C12H17NO5S.CH4O3S/c1-19(15,16)18-8-7-11(13)9-17-12(14)10-5-3-2-4-6-10;1-5(2,3)4/h2-6,11H,7-9,13H2,1H3;1H3,(H,2,3,4)