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

Systemtic Name: [5-[[[(2S)-2-ethylhexanoyl]-propan-2-yl-amino]methyl]-2-methoxy-phenyl] methanesulfonate Openeye Name: [5-[[[(2S)-2-ethylhexanoyl]-isopropyl-amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[[[(2S)-2-ethyl-1-oxohexyl]-propan-2-ylamino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[[(2S)-2-ethylhexanoyl]-propan-2-ylamino]methyl]-2-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[[(2S)-2-ethylhexanoyl]-isopropyl-amino]methyl]-2-methoxy-phenyl] ester Formula: C20H33NO5S MolecularWeight: 399.54472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H33NO5S/c1-7-9-10-17(8-2)20(22)21(15(3)4)14-16-11-12-18(25-5)19(13-16)26-27(6,23)24/h11-13,15,17H,7-10,14H2,1-6H3/t17-/m0/s1