[3-[[3-cyclopentylpropanoyl(furan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [3-[[3-cyclopentylpropanoyl(furan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[3-cyclopentylpropanoyl(2-furylmethyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[(3-cyclopentyl-1-oxopropyl)-(2-furanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[3-cyclopentylpropanoyl(furan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[3-cyclopentylpropanoyl(2-furfuryl)amino]methyl]phenyl] ester Formula: C21H27NO5S MolecularWeight: 405.50778

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC=CC(=C1)CN(CC2=CC=CO2)C(=O)CCC3CCCC3

Isomeric SMILES

CS(=O)(=O)OC1=CC=CC(=C1)CN(CC2=CC=CO2)C(=O)CCC3CCCC3

InChI

InChI=1S/C21H27NO5S/c1-28(24,25)27-19-9-4-8-18(14-19)15-22(16-20-10-5-13-26-20)21(23)12-11-17-6-2-3-7-17/h4-5,8-10,13-14,17H,2-3,6-7,11-12,15-16H2,1H3