[5-[[[(2S)-2-ethylhexanoyl]-(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate

Systemtic Name: [5-[[[(2S)-2-ethylhexanoyl]-(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate Openeye Name: [5-[[[(2S)-2-ethylhexanoyl]-(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[[[(2S)-2-ethyl-1-oxohexyl]-(2-methoxyethyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[[(2S)-2-ethylhexanoyl]-(2-methoxyethyl)amino]methyl]-2-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[[(2S)-2-ethylhexanoyl]-(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C20H33NO6S MolecularWeight: 415.54412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H33NO6S/c1-6-8-9-17(7-2)20(22)21(12-13-25-3)15-16-10-11-18(26-4)19(14-16)27-28(5,23)24/h10-11,14,17H,6-9,12-13,15H2,1-5H3/t17-/m0/s1