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

Systemtic Name: [5-[[[(2S)-butan-2-yl]-(2-methylpropanoyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate Openeye Name: [2-methoxy-5-[[2-methylpropanoyl-[(1S)-1-methylpropyl]amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[[[(2S)-butan-2-yl]-(2-methyl-1-oxopropyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[[(2S)-butan-2-yl]-(2-methylpropanoyl)amino]methyl]-2-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[isobutyryl-[(1S)-1-methylpropyl]amino]methyl]-2-methoxy-phenyl] ester Formula: C17H27NO5S MolecularWeight: 357.46498

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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)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C17H27NO5S/c1-7-13(4)18(17(19)12(2)3)11-14-8-9-15(22-5)16(10-14)23-24(6,20)21/h8-10,12-13H,7,11H2,1-6H3/t13-/m0/s1