[4-[[(3,5-dimethoxyphenyl)carbonyl-(3-methylbutyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[(3,5-dimethoxyphenyl)carbonyl-(3-methylbutyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[(3,5-dimethoxybenzoyl)-isopentyl-amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(3,5-dimethoxyphenyl)-oxomethyl]-(3-methylbutyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(3,5-dimethoxybenzoyl)-(3-methylbutyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[(3,5-dimethoxybenzoyl)-isoamyl-amino]methyl]phenyl] ester Formula: C22H29NO6S MolecularWeight: 435.53376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)C2=CC(=CC(=C2)OC)OC

Isomeric SMILES

CC(C)CCN(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)C2=CC(=CC(=C2)OC)OC

InChI

InChI=1S/C22H29NO6S/c1-16(2)10-11-23(15-17-6-8-19(9-7-17)29-30(5,25)26)22(24)18-12-20(27-3)14-21(13-18)28-4/h6-9,12-14,16H,10-11,15H2,1-5H3