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

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

Systemtic Name:[2-methoxy-5-[[2-methylpropyl(2-phenylsulfanylethanoyl)amino]methyl]phenyl] methanesulfonate
Openeye Name:[5-[[isobutyl-(2-phenylsulfanylacetyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate
CAS Name:methanesulfonic acid [2-methoxy-5-[[2-methylpropyl-[1-oxo-2-(phenylthio)ethyl]amino]methyl]phenyl] ester
IUPAC Name:[2-methoxy-5-[[2-methylpropyl-(2-phenylsulfanylacetyl)amino]methyl]phenyl] methanesulfonate
Traditional Name:methanesulfonic acid [5-[[isobutyl-[2-(phenylthio)acetyl]amino]methyl]-2-methoxy-phenyl] ester
Formula: C21H27NO5S2
MolecularWeight: 437.57278
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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)CSC2=CC=CC=C2


Isomeric SMILES

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


InChI

InChI=1S/C21H27NO5S2/c1-16(2)13-22(21(23)15-28-18-8-6-5-7-9-18)14-17-10-11-19(26-3)20(12-17)27-29(4,24)25/h5-12,16H,13-15H2,1-4H3


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