[3-[[(3,5-dimethoxyphenyl)carbonyl-(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[(3,5-dimethoxyphenyl)carbonyl-(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[(3,5-dimethoxybenzoyl)-(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[[(3,5-dimethoxyphenyl)-oxomethyl]-(2-methoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[(3,5-dimethoxybenzoyl)-(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[(3,5-dimethoxybenzoyl)-(2-methoxyethyl)amino]methyl]phenyl] ester Formula: C21H27NO7S MolecularWeight: 437.50658

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CCOC)C(=O)C2=CC(=CC(=C2)OC)OC

Isomeric SMILES

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CCOC)C(=O)C2=CC(=CC(=C2)OC)OC

InChI

InChI=1S/C21H27NO7S/c1-5-30(24,25)29-18-8-6-7-16(11-18)15-22(9-10-26-2)21(23)17-12-19(27-3)14-20(13-17)28-4/h6-8,11-14H,5,9-10,15H2,1-4H3