[4-[[[(2S)-2-ethylhexanoyl]-(3-methoxypropyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[[(2S)-2-ethylhexanoyl]-(3-methoxypropyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[[(2S)-2-ethylhexanoyl]-(3-methoxypropyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(2S)-2-ethyl-1-oxohexyl]-(3-methoxypropyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[[(2S)-2-ethylhexanoyl]-(3-methoxypropyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[[(2S)-2-ethylhexanoyl]-(3-methoxypropyl)amino]methyl]phenyl] ester Formula: C20H33NO5S MolecularWeight: 399.54472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H33NO5S/c1-5-7-9-18(6-2)20(22)21(14-8-15-25-3)16-17-10-12-19(13-11-17)26-27(4,23)24/h10-13,18H,5-9,14-16H2,1-4H3/t18-/m0/s1