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

Systemtic Name: [5-[[[(2S)-butan-2-yl]-(2-methoxyethanoyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate Openeye Name: [2-methoxy-5-[[(2-methoxyacetyl)-[(1S)-1-methylpropyl]amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[[[(2S)-butan-2-yl]-(2-methoxy-1-oxoethyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[[(2S)-butan-2-yl]-(2-methoxyacetyl)amino]methyl]-2-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [2-methoxy-5-[[(2-methoxyacetyl)-[(1S)-1-methylpropyl]amino]methyl]phenyl] ester Formula: C16H25NO6S MolecularWeight: 359.4378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25NO6S/c1-6-12(2)17(16(18)11-21-3)10-13-7-8-14(22-4)15(9-13)23-24(5,19)20/h7-9,12H,6,10-11H2,1-5H3/t12-/m0/s1