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

Systemtic Name: [5-[[cyclopentylcarbonyl(furan-2-ylmethyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate Openeye Name: [5-[[cyclopentanecarbonyl(2-furylmethyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[[[cyclopentyl(oxo)methyl]-(2-furanylmethyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[cyclopentanecarbonyl(furan-2-ylmethyl)amino]methyl]-2-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[cyclopentanecarbonyl(2-furfuryl)amino]methyl]-2-methoxy-phenyl] ester Formula: C20H25NO6S MolecularWeight: 407.4806

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(CC2=CC=CO2)C(=O)C3CCCC3)OS(=O)(=O)C

Isomeric SMILES

COC1=C(C=C(C=C1)CN(CC2=CC=CO2)C(=O)C3CCCC3)OS(=O)(=O)C

InChI

InChI=1S/C20H25NO6S/c1-25-18-10-9-15(12-19(18)27-28(2,23)24)13-21(14-17-8-5-11-26-17)20(22)16-6-3-4-7-16/h5,8-12,16H,3-4,6-7,13-14H2,1-2H3