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

Systemtic Name: [5-[[3-cyclopentylpropanoyl(furan-2-ylmethyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate Openeye Name: [5-[[3-cyclopentylpropanoyl(2-furylmethyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[[(3-cyclopentyl-1-oxopropyl)-(2-furanylmethyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[3-cyclopentylpropanoyl(furan-2-ylmethyl)amino]methyl]-2-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[3-cyclopentylpropanoyl(2-furfuryl)amino]methyl]-2-methoxy-phenyl] ester Formula: C22H29NO6S MolecularWeight: 435.53376

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(CC2=CC=CO2)C(=O)CCC3CCCC3)OS(=O)(=O)C

Isomeric SMILES

COC1=C(C=C(C=C1)CN(CC2=CC=CO2)C(=O)CCC3CCCC3)OS(=O)(=O)C

InChI

InChI=1S/C22H29NO6S/c1-27-20-11-9-18(14-21(20)29-30(2,25)26)15-23(16-19-8-5-13-28-19)22(24)12-10-17-6-3-4-7-17/h5,8-9,11,13-14,17H,3-4,6-7,10,12,15-16H2,1-2H3