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

Systemtic Name: [3-[[[(2S)-butan-2-yl]-cyclobutylcarbonyl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[cyclobutanecarbonyl-[(1S)-1-methylpropyl]amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[[(2S)-butan-2-yl]-[cyclobutyl(oxo)methyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[[(2S)-butan-2-yl]-(cyclobutanecarbonyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[cyclobutanecarbonyl-[(1S)-1-methylpropyl]amino]methyl]phenyl] ester Formula: C18H27NO4S MolecularWeight: 353.47628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27NO4S/c1-4-14(3)19(18(20)16-9-7-10-16)13-15-8-6-11-17(12-15)23-24(21,22)5-2/h6,8,11-12,14,16H,4-5,7,9-10,13H2,1-3H3/t14-/m0/s1