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

Systemtic Name: [5-[[3-cyclopentylpropanoyl(propan-2-yl)amino]methyl]-2-methoxy-phenyl] methanesulfonate Openeye Name: [5-[[3-cyclopentylpropanoyl(isopropyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[[(3-cyclopentyl-1-oxopropyl)-propan-2-ylamino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[3-cyclopentylpropanoyl(propan-2-yl)amino]methyl]-2-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[3-cyclopentylpropanoyl(isopropyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C20H31NO5S MolecularWeight: 397.52884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31NO5S/c1-15(2)21(20(22)12-10-16-7-5-6-8-16)14-17-9-11-18(25-3)19(13-17)26-27(4,23)24/h9,11,13,15-16H,5-8,10,12,14H2,1-4H3