[2-methoxy-5-[[2-phenylsulfanylethanoyl(propan-2-yl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [2-methoxy-5-[[2-phenylsulfanylethanoyl(propan-2-yl)amino]methyl]phenyl] methanesulfonate Openeye Name: [5-[[isopropyl-(2-phenylsulfanylacetyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [2-methoxy-5-[[[1-oxo-2-(phenylthio)ethyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[(2-phenylsulfanylacetyl)-propan-2-ylamino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[isopropyl-[2-(phenylthio)acetyl]amino]methyl]-2-methoxy-phenyl] ester Formula: C20H25NO5S2 MolecularWeight: 423.5462

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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)CSC2=CC=CC=C2

Isomeric SMILES

CC(C)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C)C(=O)CSC2=CC=CC=C2

InChI

InChI=1S/C20H25NO5S2/c1-15(2)21(20(22)14-27-17-8-6-5-7-9-17)13-16-10-11-18(25-3)19(12-16)26-28(4,23)24/h5-12,15H,13-14H2,1-4H3