[5-[[[(2S)-butan-2-yl]amino]methyl]-2-methoxy-phenyl] methanesulfonate

Systemtic Name: [5-[[[(2S)-butan-2-yl]amino]methyl]-2-methoxy-phenyl] methanesulfonate Openeye Name: [2-methoxy-5-[[[(1S)-1-methylpropyl]amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[[[(2S)-butan-2-yl]amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[[(2S)-butan-2-yl]amino]methyl]-2-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [2-methoxy-5-[[[(1S)-1-methylpropyl]amino]methyl]phenyl] ester Formula: C13H21NO4S MolecularWeight: 287.37514

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NCC1=CC(=C(C=C1)OC)OS(=O)(=O)C

Isomeric SMILES

CC[C@H](C)NCC1=CC(=C(C=C1)OC)OS(=O)(=O)C

InChI

InChI=1S/C13H21NO4S/c1-5-10(2)14-9-11-6-7-12(17-3)13(8-11)18-19(4,15)16/h6-8,10,14H,5,9H2,1-4H3/t10-/m0/s1