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

Systemtic Name: [5-[[3,3-dimethylbutanoyl(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate Openeye Name: [5-[[3,3-dimethylbutanoyl(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[[(3,3-dimethyl-1-oxobutyl)-(2-methoxyethyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[3,3-dimethylbutanoyl(2-methoxyethyl)amino]methyl]-2-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[3,3-dimethylbutanoyl(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C18H29NO6S MolecularWeight: 387.49096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29NO6S/c1-18(2,3)12-17(20)19(9-10-23-4)13-14-7-8-15(24-5)16(11-14)25-26(6,21)22/h7-8,11H,9-10,12-13H2,1-6H3