[4-[[3,3-dimethylbutanoyl(3-methoxypropyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[3,3-dimethylbutanoyl(3-methoxypropyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[3,3-dimethylbutanoyl(3-methoxypropyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[(3,3-dimethyl-1-oxobutyl)-(3-methoxypropyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[3,3-dimethylbutanoyl(3-methoxypropyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[3,3-dimethylbutanoyl(3-methoxypropyl)amino]methyl]phenyl] ester Formula: C18H29NO5S MolecularWeight: 371.49156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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