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

Systemtic Name: [3-[[furan-2-ylmethyl(phenylcarbonyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[benzoyl(2-furylmethyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[benzoyl(2-furanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[benzoyl(furan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[benzoyl(2-furfuryl)amino]methyl]phenyl] ester Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CC2=CC=CO2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CC2=CC=CO2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H21NO5S/c1-2-28(24,25)27-19-11-6-8-17(14-19)15-22(16-20-12-7-13-26-20)21(23)18-9-4-3-5-10-18/h3-14H,2,15-16H2,1H3