[5-[[3-cyclopentylpropanoyl(2-methylpropyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate

Systemtic Name: [5-[[3-cyclopentylpropanoyl(2-methylpropyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate Openeye Name: [5-[[3-cyclopentylpropanoyl(isobutyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[[(3-cyclopentyl-1-oxopropyl)-(2-methylpropyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[3-cyclopentylpropanoyl(2-methylpropyl)amino]methyl]-2-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[3-cyclopentylpropanoyl(isobutyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C21H33NO5S MolecularWeight: 411.55542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C)C(=O)CCC2CCCC2

Isomeric SMILES

CC(C)CN(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C)C(=O)CCC2CCCC2

InChI

InChI=1S/C21H33NO5S/c1-16(2)14-22(21(23)12-10-17-7-5-6-8-17)15-18-9-11-19(26-3)20(13-18)27-28(4,24)25/h9,11,13,16-17H,5-8,10,12,14-15H2,1-4H3