[4-[[3-methylbutyl(2-methylpropanoyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[3-methylbutyl(2-methylpropanoyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[isopentyl(2-methylpropanoyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[3-methylbutyl-(2-methyl-1-oxopropyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[3-methylbutyl(2-methylpropanoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[isoamyl(isobutyryl)amino]methyl]phenyl] ester Formula: C17H27NO4S MolecularWeight: 341.46558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)C(C)C

Isomeric SMILES

CC(C)CCN(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)C(C)C

InChI

InChI=1S/C17H27NO4S/c1-13(2)10-11-18(17(19)14(3)4)12-15-6-8-16(9-7-15)22-23(5,20)21/h6-9,13-14H,10-12H2,1-5H3