[5-[[(2,4-dimethoxyphenyl)carbonyl-(2-methylpropyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate

Systemtic Name: [5-[[(2,4-dimethoxyphenyl)carbonyl-(2-methylpropyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [5-[[(2,4-dimethoxybenzoyl)-isobutyl-amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-[[[(2,4-dimethoxyphenyl)-oxomethyl]-(2-methylpropyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[(2,4-dimethoxybenzoyl)-(2-methylpropyl)amino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[(2,4-dimethoxybenzoyl)-isobutyl-amino]methyl]-2-methoxy-phenyl] ester Formula: C23H31NO7S MolecularWeight: 465.55974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31NO7S/c1-7-32(26,27)31-22-12-17(8-11-20(22)29-5)15-24(14-16(2)3)23(25)19-10-9-18(28-4)13-21(19)30-6/h8-13,16H,7,14-15H2,1-6H3