[2-methoxy-5-[[2-(4-methoxyphenyl)ethanoyl-propan-2-yl-amino]methyl]phenyl] methanesulfonate

Systemtic Name: [2-methoxy-5-[[2-(4-methoxyphenyl)ethanoyl-propan-2-yl-amino]methyl]phenyl] methanesulfonate Openeye Name: [5-[[isopropyl-[2-(4-methoxyphenyl)acetyl]amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [2-methoxy-5-[[[2-(4-methoxyphenyl)-1-oxoethyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[[2-(4-methoxyphenyl)acetyl]-propan-2-ylamino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[isopropyl-[2-(4-methoxyphenyl)acetyl]amino]methyl]-2-methoxy-phenyl] ester Formula: C21H27NO6S MolecularWeight: 421.50718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO6S/c1-15(2)22(21(23)13-16-6-9-18(26-3)10-7-16)14-17-8-11-19(27-4)20(12-17)28-29(5,24)25/h6-12,15H,13-14H2,1-5H3