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

Systemtic Name: [3-[[cyclohexylcarbonyl(furan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[cyclohexanecarbonyl(2-furylmethyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[[cyclohexyl(oxo)methyl]-(2-furanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[cyclohexanecarbonyl(furan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[cyclohexanecarbonyl(2-furfuryl)amino]methyl]phenyl] ester Formula: C20H25NO5S MolecularWeight: 391.4812

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC=CC(=C1)CN(CC2=CC=CO2)C(=O)C3CCCCC3

Isomeric SMILES

CS(=O)(=O)OC1=CC=CC(=C1)CN(CC2=CC=CO2)C(=O)C3CCCCC3

InChI

InChI=1S/C20H25NO5S/c1-27(23,24)26-18-10-5-7-16(13-18)14-21(15-19-11-6-12-25-19)20(22)17-8-3-2-4-9-17/h5-7,10-13,17H,2-4,8-9,14-15H2,1H3