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

Systemtic Name: [5-[[cyclohexylcarbonyl(furan-2-ylmethyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate Openeye Name: [5-[[cyclohexanecarbonyl(2-furylmethyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[[[cyclohexyl(oxo)methyl]-(2-furanylmethyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[cyclohexanecarbonyl(furan-2-ylmethyl)amino]methyl]-2-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[cyclohexanecarbonyl(2-furfuryl)amino]methyl]-2-methoxy-phenyl] ester Formula: C21H27NO6S MolecularWeight: 421.50718

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(CC2=CC=CO2)C(=O)C3CCCCC3)OS(=O)(=O)C

Isomeric SMILES

COC1=C(C=C(C=C1)CN(CC2=CC=CO2)C(=O)C3CCCCC3)OS(=O)(=O)C

InChI

InChI=1S/C21H27NO6S/c1-26-19-11-10-16(13-20(19)28-29(2,24)25)14-22(15-18-9-6-12-27-18)21(23)17-7-4-3-5-8-17/h6,9-13,17H,3-5,7-8,14-15H2,1-2H3