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

Systemtic Name: [4-[[[(2S)-butan-2-yl]amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[[(1S)-1-methylpropyl]amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(2S)-butan-2-yl]amino]methyl]phenyl] ester IUPAC Name: [4-[[[(2S)-butan-2-yl]amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[[(1S)-1-methylpropyl]amino]methyl]phenyl] ester Formula: C12H19NO3S MolecularWeight: 257.34916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19NO3S/c1-4-10(2)13-9-11-5-7-12(8-6-11)16-17(3,14)15/h5-8,10,13H,4,9H2,1-3H3/t10-/m0/s1