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

Systemtic Name: [4-[[2-(4-methoxyphenyl)ethanoyl-(3-methoxypropyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[[2-(4-methoxyphenyl)acetyl]-(3-methoxypropyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[2-(4-methoxyphenyl)-1-oxoethyl]-(3-methoxypropyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[[2-(4-methoxyphenyl)acetyl]-(3-methoxypropyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[[2-(4-methoxyphenyl)acetyl]-(3-methoxypropyl)amino]methyl]phenyl] ester Formula: C21H27NO6S MolecularWeight: 421.50718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO6S/c1-26-14-4-13-22(21(23)15-17-5-9-19(27-2)10-6-17)16-18-7-11-20(12-8-18)28-29(3,24)25/h5-12H,4,13-16H2,1-3H3