[5-[[cyclopropyl(3,3-dimethylbutanoyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate

Systemtic Name: [5-[[cyclopropyl(3,3-dimethylbutanoyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate Openeye Name: [5-[[cyclopropyl(3,3-dimethylbutanoyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[[cyclopropyl-(3,3-dimethyl-1-oxobutyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[cyclopropyl(3,3-dimethylbutanoyl)amino]methyl]-2-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[cyclopropyl(3,3-dimethylbutanoyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C18H27NO5S MolecularWeight: 369.47568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C)C2CC2

Isomeric SMILES

CC(C)(C)CC(=O)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C)C2CC2

InChI

InChI=1S/C18H27NO5S/c1-18(2,3)11-17(20)19(14-7-8-14)12-13-6-9-15(23-4)16(10-13)24-25(5,21)22/h6,9-10,14H,7-8,11-12H2,1-5H3