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

Systemtic Name: [3-[[furan-2-ylmethyl(phenylcarbamoyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[2-furylmethyl(phenylcarbamoyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[[anilino(oxo)methyl]-(2-furanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[furan-2-ylmethyl(phenylcarbamoyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[2-furfuryl(phenylcarbamoyl)amino]methyl]phenyl] ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CC2=CC=CO2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CC2=CC=CO2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O5S/c1-2-29(25,26)28-19-11-6-8-17(14-19)15-23(16-20-12-7-13-27-20)21(24)22-18-9-4-3-5-10-18/h3-14H,2,15-16H2,1H3,(H,22,24)