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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H33NO5S/c1-5-8-11-18(6-2)20(22)21(13-14-25-4)16-17-10-9-12-19(15-17)26-27(23,24)7-3/h9-10,12,15,18H,5-8,11,13-14,16H2,1-4H3/t18-/m0/s1