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

Systemtic Name: [5-[[[(2S)-butan-2-yl]-cyclobutylcarbonyl-amino]methyl]-2-methoxy-phenyl] methanesulfonate Openeye Name: [5-[[cyclobutanecarbonyl-[(1S)-1-methylpropyl]amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[[[(2S)-butan-2-yl]-[cyclobutyl(oxo)methyl]amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[[(2S)-butan-2-yl]-(cyclobutanecarbonyl)amino]methyl]-2-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[cyclobutanecarbonyl-[(1S)-1-methylpropyl]amino]methyl]-2-methoxy-phenyl] ester Formula: C18H27NO5S MolecularWeight: 369.47568

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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)C2CCC2

Isomeric SMILES

CC[C@H](C)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C)C(=O)C2CCC2

InChI

InChI=1S/C18H27NO5S/c1-5-13(2)19(18(20)15-7-6-8-15)12-14-9-10-16(23-3)17(11-14)24-25(4,21)22/h9-11,13,15H,5-8,12H2,1-4H3/t13-/m0/s1