[4-[[[(2S)-butan-2-yl]-cyclopropylcarbonyl-amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[[(2S)-butan-2-yl]-cyclopropylcarbonyl-amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[cyclopropanecarbonyl-[(1S)-1-methylpropyl]amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(2S)-butan-2-yl]-[cyclopropyl(oxo)methyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[[(2S)-butan-2-yl]-(cyclopropanecarbonyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[cyclopropanecarbonyl-[(1S)-1-methylpropyl]amino]methyl]phenyl] ester Formula: C16H23NO4S MolecularWeight: 325.42312

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)C2CC2

Isomeric SMILES

CC[C@H](C)N(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)C2CC2

InChI

InChI=1S/C16H23NO4S/c1-4-12(2)17(16(18)14-7-8-14)11-13-5-9-15(10-6-13)21-22(3,19)20/h5-6,9-10,12,14H,4,7-8,11H2,1-3H3/t12-/m0/s1