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

Systemtic Name: [5-[[[(2S)-butan-2-yl]-cyclobutylcarbonyl-amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [5-[[cyclobutanecarbonyl-[(1S)-1-methylpropyl]amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic 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] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[cyclobutanecarbonyl-[(1S)-1-methylpropyl]amino]methyl]-2-methoxy-phenyl] ester Formula: C19H29NO5S MolecularWeight: 383.50226

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)CC)C(=O)C2CCC2

Isomeric SMILES

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

InChI

InChI=1S/C19H29NO5S/c1-5-14(3)20(19(21)16-8-7-9-16)13-15-10-11-17(24-4)18(12-15)25-26(22,23)6-2/h10-12,14,16H,5-9,13H2,1-4H3/t14-/m0/s1