[3-[[(2,6-dimethoxyphenyl)carbonyl-(furan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[(2,6-dimethoxyphenyl)carbonyl-(furan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[(2,6-dimethoxybenzoyl)-(2-furylmethyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[[(2,6-dimethoxyphenyl)-oxomethyl]-(2-furanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[(2,6-dimethoxybenzoyl)-(furan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[(2,6-dimethoxybenzoyl)-(2-furfuryl)amino]methyl]phenyl] ester Formula: C23H25NO7S MolecularWeight: 459.5121

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CC2=CC=CO2)C(=O)C3=C(C=CC=C3OC)OC

Isomeric SMILES

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CC2=CC=CO2)C(=O)C3=C(C=CC=C3OC)OC

InChI

InChI=1S/C23H25NO7S/c1-4-32(26,27)31-18-9-5-8-17(14-18)15-24(16-19-10-7-13-30-19)23(25)22-20(28-2)11-6-12-21(22)29-3/h5-14H,4,15-16H2,1-3H3