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

Systemtic Name: [4-[[[(2S)-butan-2-yl]amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[[(1S)-1-methylpropyl]amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[[(2S)-butan-2-yl]amino]methyl]phenyl] ester IUPAC Name: [4-[[[(2S)-butan-2-yl]amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[[(1S)-1-methylpropyl]amino]methyl]phenyl] ester Formula: C13H21NO3S MolecularWeight: 271.37574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21NO3S/c1-4-11(3)14-10-12-6-8-13(9-7-12)17-18(15,16)5-2/h6-9,11,14H,4-5,10H2,1-3H3/t11-/m0/s1