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

Systemtic Name: [5-[[2-(4-fluorophenyl)ethanoyl-propan-2-yl-amino]methyl]-2-methoxy-phenyl] methanesulfonate Openeye Name: [5-[[[2-(4-fluorophenyl)acetyl]-isopropyl-amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[[[2-(4-fluorophenyl)-1-oxoethyl]-propan-2-ylamino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[[2-(4-fluorophenyl)acetyl]-propan-2-ylamino]methyl]-2-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[[2-(4-fluorophenyl)acetyl]-isopropyl-amino]methyl]-2-methoxy-phenyl] ester Formula: C20H24FNO5S MolecularWeight: 409.471663

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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)F

Isomeric SMILES

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

InChI

InChI=1S/C20H24FNO5S/c1-14(2)22(20(23)12-15-5-8-17(21)9-6-15)13-16-7-10-18(26-3)19(11-16)27-28(4,24)25/h5-11,14H,12-13H2,1-4H3