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

Systemtic Name: [4-chloranyl-2-[[cyclobutylcarbonyl(furan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-chloro-2-[[cyclobutanecarbonyl(2-furylmethyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic 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] ethanesulfonate Traditional Name: ethanesulfonic acid [4-chloro-2-[[cyclobutanecarbonyl(2-furfuryl)amino]methyl]phenyl] ester Formula: C19H22ClNO5S MolecularWeight: 411.89968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22ClNO5S/c1-2-27(23,24)26-18-9-8-16(20)11-15(18)12-21(13-17-7-4-10-25-17)19(22)14-5-3-6-14/h4,7-11,14H,2-3,5-6,12-13H2,1H3