[3-[[[(2S)-butan-2-yl]-(2-methoxyethanoyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[[(2S)-butan-2-yl]-(2-methoxyethanoyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[(2-methoxyacetyl)-[(1S)-1-methylpropyl]amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[[(2S)-butan-2-yl]-(2-methoxy-1-oxoethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[[(2S)-butan-2-yl]-(2-methoxyacetyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[(2-methoxyacetyl)-[(1S)-1-methylpropyl]amino]methyl]phenyl] ester Formula: C16H25NO5S MolecularWeight: 343.4384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25NO5S/c1-5-13(3)17(16(18)12-21-4)11-14-8-7-9-15(10-14)22-23(19,20)6-2/h7-10,13H,5-6,11-12H2,1-4H3/t13-/m0/s1