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

Systemtic Name: [3-[[[(2S)-butan-2-yl]-cyclobutylcarbonyl-amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[cyclobutanecarbonyl-[(1S)-1-methylpropyl]amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[[(2S)-butan-2-yl]-[cyclobutyl(oxo)methyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[[(2S)-butan-2-yl]-(cyclobutanecarbonyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[cyclobutanecarbonyl-[(1S)-1-methylpropyl]amino]methyl]phenyl] ester Formula: C17H25NO4S MolecularWeight: 339.4497

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO4S/c1-4-13(2)18(17(19)15-8-6-9-15)12-14-7-5-10-16(11-14)22-23(3,20)21/h5,7,10-11,13,15H,4,6,8-9,12H2,1-3H3/t13-/m0/s1