[3-[[(2,4-dimethoxyphenyl)carbonyl-(furan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[(2,4-dimethoxyphenyl)carbonyl-(furan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[(2,4-dimethoxybenzoyl)-(2-furylmethyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[[(2,4-dimethoxyphenyl)-oxomethyl]-(2-furanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[(2,4-dimethoxybenzoyl)-(furan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[(2,4-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=C(C=C3)OC)OC

Isomeric SMILES

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

InChI

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