[2-methoxy-5-[[2-methylpropyl(2-thiophen-2-ylethanoyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [2-methoxy-5-[[2-methylpropyl(2-thiophen-2-ylethanoyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [5-[[isobutyl-[2-(2-thienyl)acetyl]amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [2-methoxy-5-[[2-methylpropyl-(1-oxo-2-thiophen-2-ylethyl)amino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[2-methylpropyl-(2-thiophen-2-ylacetyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[isobutyl-[2-(2-thienyl)acetyl]amino]methyl]-2-methoxy-phenyl] ester Formula: C19H25NO5S2 MolecularWeight: 411.5355

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C)C(=O)CC2=CC=CS2

Isomeric SMILES

CC(C)CN(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C)C(=O)CC2=CC=CS2

InChI

InChI=1S/C19H25NO5S2/c1-14(2)12-20(19(21)11-16-6-5-9-26-16)13-15-7-8-17(24-3)18(10-15)25-27(4,22)23/h5-10,14H,11-13H2,1-4H3