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

Systemtic Name: [2-methoxy-5-[[(4-methoxyphenyl)carbonyl-(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [5-[[isobutyl-(4-methoxybenzoyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [2-methoxy-5-[[[(4-methoxyphenyl)-oxomethyl]-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[(4-methoxybenzoyl)-(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[isobutyl(p-anisoyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C22H29NO6S MolecularWeight: 435.53376

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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=CC=C(C=C2)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO6S/c1-6-30(25,26)29-21-13-17(7-12-20(21)28-5)15-23(14-16(2)3)22(24)18-8-10-19(27-4)11-9-18/h7-13,16H,6,14-15H2,1-5H3