[4-[[(3-methoxyphenyl)carbonyl-(3-methylbutyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[(3-methoxyphenyl)carbonyl-(3-methylbutyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[isopentyl-(3-methoxybenzoyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(3-methoxyphenyl)-oxomethyl]-(3-methylbutyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(3-methoxybenzoyl)-(3-methylbutyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[isoamyl(m-anisoyl)amino]methyl]phenyl] ester Formula: C21H27NO5S MolecularWeight: 405.50778

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO5S/c1-16(2)12-13-22(21(23)18-6-5-7-20(14-18)26-3)15-17-8-10-19(11-9-17)27-28(4,24)25/h5-11,14,16H,12-13,15H2,1-4H3