[4-[[[(2S)-butan-2-yl]-(dimethylcarbamoyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[[(2S)-butan-2-yl]-(dimethylcarbamoyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[dimethylcarbamoyl-[(1S)-1-methylpropyl]amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(2S)-butan-2-yl]-[dimethylamino(oxo)methyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[[(2S)-butan-2-yl]-(dimethylcarbamoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[dimethylcarbamoyl-[(1S)-1-methylpropyl]amino]methyl]phenyl] ester Formula: C15H24N2O4S MolecularWeight: 328.42706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)N(C)C

Isomeric SMILES

CC[C@H](C)N(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)N(C)C

InChI

InChI=1S/C15H24N2O4S/c1-6-12(2)17(15(18)16(3)4)11-13-7-9-14(10-8-13)21-22(5,19)20/h7-10,12H,6,11H2,1-5H3/t12-/m0/s1