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

Systemtic Name: [5-[[(3,5-dimethoxyphenyl)carbonyl-propan-2-yl-amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [5-[[(3,5-dimethoxybenzoyl)-isopropyl-amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-[[[(3,5-dimethoxyphenyl)-oxomethyl]-propan-2-ylamino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[(3,5-dimethoxybenzoyl)-propan-2-ylamino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[(3,5-dimethoxybenzoyl)-isopropyl-amino]methyl]-2-methoxy-phenyl] ester Formula: C22H29NO7S MolecularWeight: 451.53316

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO7S/c1-7-31(25,26)30-21-10-16(8-9-20(21)29-6)14-23(15(2)3)22(24)17-11-18(27-4)13-19(12-17)28-5/h8-13,15H,7,14H2,1-6H3