[4-[[(3,5-dimethoxyphenyl)carbonyl-(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [4-[[(3,5-dimethoxyphenyl)carbonyl-(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[(3,5-dimethoxybenzoyl)-isobutyl-amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[[(3,5-dimethoxyphenyl)-oxomethyl]-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(3,5-dimethoxybenzoyl)-(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[(3,5-dimethoxybenzoyl)-isobutyl-amino]methyl]phenyl] ester Formula: C22H29NO6S MolecularWeight: 435.53376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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