[3-[[cyclopropylcarbonyl(furan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[cyclopropylcarbonyl(furan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[cyclopropanecarbonyl(2-furylmethyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[[cyclopropyl(oxo)methyl]-(2-furanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[cyclopropanecarbonyl(furan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[cyclopropanecarbonyl(2-furfuryl)amino]methyl]phenyl] ester Formula: C18H21NO5S MolecularWeight: 363.42804

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CC2=CC=CO2)C(=O)C3CC3

Isomeric SMILES

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CC2=CC=CO2)C(=O)C3CC3

InChI

InChI=1S/C18H21NO5S/c1-2-25(21,22)24-16-6-3-5-14(11-16)12-19(18(20)15-8-9-15)13-17-7-4-10-23-17/h3-7,10-11,15H,2,8-9,12-13H2,1H3