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

Systemtic Name: [2-methoxy-5-[[2-methylpropyl(thiophen-2-ylcarbonyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [5-[[isobutyl(thiophene-2-carbonyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [2-methoxy-5-[[2-methylpropyl-[oxo(thiophen-2-yl)methyl]amino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[2-methylpropyl(thiophene-2-carbonyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[isobutyl(2-thenoyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C18H23NO5S2 MolecularWeight: 397.50892

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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)C2=CC=CS2

Isomeric SMILES

CC(C)CN(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C)C(=O)C2=CC=CS2

InChI

InChI=1S/C18H23NO5S2/c1-13(2)11-19(18(20)17-6-5-9-25-17)12-14-7-8-15(23-3)16(10-14)24-26(4,21)22/h5-10,13H,11-12H2,1-4H3