[3-[[[(2S)-butan-2-yl]-cyclopentylcarbonyl-amino]methyl]phenyl] methanesulfonate

Systemtic Name: [3-[[[(2S)-butan-2-yl]-cyclopentylcarbonyl-amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[cyclopentanecarbonyl-[(1S)-1-methylpropyl]amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[[(2S)-butan-2-yl]-[cyclopentyl(oxo)methyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[[(2S)-butan-2-yl]-(cyclopentanecarbonyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[cyclopentanecarbonyl-[(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)C)C(=O)C2CCCC2

Isomeric SMILES

CC[C@H](C)N(CC1=CC(=CC=C1)OS(=O)(=O)C)C(=O)C2CCCC2

InChI

InChI=1S/C18H27NO4S/c1-4-14(2)19(18(20)16-9-5-6-10-16)13-15-8-7-11-17(12-15)23-24(3,21)22/h7-8,11-12,14,16H,4-6,9-10,13H2,1-3H3/t14-/m0/s1