[2-methoxy-5-[[3-methylbutanoyl(2-methylpropyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [2-methoxy-5-[[3-methylbutanoyl(2-methylpropyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [5-[[isobutyl(3-methylbutanoyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [2-methoxy-5-[[(3-methyl-1-oxobutyl)-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[3-methylbutanoyl(2-methylpropyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[isobutyl(isovaleryl)amino]methyl]-2-methoxy-phenyl] ester Formula: C18H29NO5S MolecularWeight: 371.49156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29NO5S/c1-13(2)9-18(20)19(11-14(3)4)12-15-7-8-16(23-5)17(10-15)24-25(6,21)22/h7-8,10,13-14H,9,11-12H2,1-6H3