[4-[[2-(4-methoxyphenyl)ethanoyl-(3-methylbutyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[2-(4-methoxyphenyl)ethanoyl-(3-methylbutyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[isopentyl-[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[2-(4-methoxyphenyl)-1-oxoethyl]-(3-methylbutyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[[2-(4-methoxyphenyl)acetyl]-(3-methylbutyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[isoamyl-[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl] ester Formula: C22H29NO5S MolecularWeight: 419.53436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)CC2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)CCN(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)CC2=CC=C(C=C2)OC

InChI

InChI=1S/C22H29NO5S/c1-17(2)13-14-23(22(24)15-18-5-9-20(27-3)10-6-18)16-19-7-11-21(12-8-19)28-29(4,25)26/h5-12,17H,13-16H2,1-4H3