[3-[[[(2S)-2-ethylhexanoyl]-(2-methylpropyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [3-[[[(2S)-2-ethylhexanoyl]-(2-methylpropyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[[(2S)-2-ethylhexanoyl]-isobutyl-amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[[(2S)-2-ethyl-1-oxohexyl]-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[[(2S)-2-ethylhexanoyl]-(2-methylpropyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[[(2S)-2-ethylhexanoyl]-isobutyl-amino]methyl]phenyl] ester Formula: C20H33NO4S MolecularWeight: 383.54532

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)N(CC1=CC(=CC=C1)OS(=O)(=O)C)CC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H33NO4S/c1-6-8-11-18(7-2)20(22)21(14-16(3)4)15-17-10-9-12-19(13-17)25-26(5,23)24/h9-10,12-13,16,18H,6-8,11,14-15H2,1-5H3/t18-/m0/s1