[5-[[cyclobutylcarbonyl(oxolan-2-ylmethyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate

Systemtic Name: [5-[[cyclobutylcarbonyl(oxolan-2-ylmethyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [5-[[cyclobutanecarbonyl(tetrahydrofuran-2-ylmethyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-[[[cyclobutyl(oxo)methyl]-(2-oxolanylmethyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[cyclobutanecarbonyl(oxolan-2-ylmethyl)amino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[cyclobutanecarbonyl(tetrahydrofurfuryl)amino]methyl]-2-methoxy-phenyl] ester Formula: C20H29NO6S MolecularWeight: 411.51236

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=C(C=CC(=C1)CN(CC2CCCO2)C(=O)C3CCC3)OC

Isomeric SMILES

CCS(=O)(=O)OC1=C(C=CC(=C1)CN(CC2CCCO2)C(=O)C3CCC3)OC

InChI

InChI=1S/C20H29NO6S/c1-3-28(23,24)27-19-12-15(9-10-18(19)25-2)13-21(14-17-8-5-11-26-17)20(22)16-6-4-7-16/h9-10,12,16-17H,3-8,11,13-14H2,1-2H3