[2-methoxy-5-[[(3-methoxyphenyl)carbonyl-propan-2-yl-amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [2-methoxy-5-[[(3-methoxyphenyl)carbonyl-propan-2-yl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [5-[[isopropyl-(3-methoxybenzoyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [2-methoxy-5-[[[(3-methoxyphenyl)-oxomethyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[(3-methoxybenzoyl)-propan-2-ylamino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[isopropyl(m-anisoyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C21H27NO6S MolecularWeight: 421.50718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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