[3-[[(2,6-dimethoxyphenyl)carbonyl-propan-2-yl-amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[(2,6-dimethoxyphenyl)carbonyl-propan-2-yl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[(2,6-dimethoxybenzoyl)-isopropyl-amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[[(2,6-dimethoxyphenyl)-oxomethyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[(2,6-dimethoxybenzoyl)-propan-2-ylamino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[(2,6-dimethoxybenzoyl)-isopropyl-amino]methyl]phenyl] ester Formula: C21H27NO6S MolecularWeight: 421.50718

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=CC(=C1)CN(C(C)C)C(=O)C2=C(C=CC=C2OC)OC

Isomeric SMILES

CCS(=O)(=O)OC1=CC=CC(=C1)CN(C(C)C)C(=O)C2=C(C=CC=C2OC)OC

InChI

InChI=1S/C21H27NO6S/c1-6-29(24,25)28-17-10-7-9-16(13-17)14-22(15(2)3)21(23)20-18(26-4)11-8-12-19(20)27-5/h7-13,15H,6,14H2,1-5H3