[3-[(2-methylpropylamino)methyl]phenyl] methanesulfonate

Systemtic Name: [3-[(2-methylpropylamino)methyl]phenyl] methanesulfonate Openeye Name: [3-[(isobutylamino)methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[(2-methylpropylamino)methyl]phenyl] ester IUPAC Name: [3-[(2-methylpropylamino)methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[(isobutylamino)methyl]phenyl] ester Formula: C12H19NO3S MolecularWeight: 257.34916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNCC1=CC(=CC=C1)OS(=O)(=O)C

Isomeric SMILES

CC(C)CNCC1=CC(=CC=C1)OS(=O)(=O)C

InChI

InChI=1S/C12H19NO3S/c1-10(2)8-13-9-11-5-4-6-12(7-11)16-17(3,14)15/h4-7,10,13H,8-9H2,1-3H3