[4-chloranyl-2-[[cyclobutylcarbonyl(furan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-chloranyl-2-[[cyclobutylcarbonyl(furan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-chloro-2-[[cyclobutanecarbonyl(2-furylmethyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-chloro-2-[[[cyclobutyl(oxo)methyl]-(2-furanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-chloro-2-[[cyclobutanecarbonyl(furan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-chloro-2-[[cyclobutanecarbonyl(2-furfuryl)amino]methyl]phenyl] ester Formula: C18H20ClNO5S MolecularWeight: 397.8731

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=C(C=C(C=C1)Cl)CN(CC2=CC=CO2)C(=O)C3CCC3

Isomeric SMILES

CS(=O)(=O)OC1=C(C=C(C=C1)Cl)CN(CC2=CC=CO2)C(=O)C3CCC3

InChI

InChI=1S/C18H20ClNO5S/c1-26(22,23)25-17-8-7-15(19)10-14(17)11-20(12-16-6-3-9-24-16)18(21)13-4-2-5-13/h3,6-10,13H,2,4-5,11-12H2,1H3