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

Systemtic Name: [3-[[[(2S)-2-ethylhexanoyl]-(2-methoxyethyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[[(2S)-2-ethylhexanoyl]-(2-methoxyethyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[[(2S)-2-ethyl-1-oxohexyl]-(2-methoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[[(2S)-2-ethylhexanoyl]-(2-methoxyethyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[[(2S)-2-ethylhexanoyl]-(2-methoxyethyl)amino]methyl]phenyl] ester Formula: C19H31NO5S MolecularWeight: 385.51814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H31NO5S/c1-5-7-10-17(6-2)19(21)20(12-13-24-3)15-16-9-8-11-18(14-16)25-26(4,22)23/h8-9,11,14,17H,5-7,10,12-13,15H2,1-4H3/t17-/m0/s1