[5-[[[(2S)-2-ethylhexanoyl]-(2-methylpropyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate

Systemtic Name: [5-[[[(2S)-2-ethylhexanoyl]-(2-methylpropyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [5-[[[(2S)-2-ethylhexanoyl]-isobutyl-amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-[[[(2S)-2-ethyl-1-oxohexyl]-(2-methylpropyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[[(2S)-2-ethylhexanoyl]-(2-methylpropyl)amino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[[(2S)-2-ethylhexanoyl]-isobutyl-amino]methyl]-2-methoxy-phenyl] ester Formula: C22H37NO5S MolecularWeight: 427.59788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H37NO5S/c1-7-10-11-19(8-2)22(24)23(15-17(4)5)16-18-12-13-20(27-6)21(14-18)28-29(25,26)9-3/h12-14,17,19H,7-11,15-16H2,1-6H3/t19-/m0/s1