[3-[[butan-2-yl(3-methylbutanoyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [3-[[butan-2-yl(3-methylbutanoyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[3-methylbutanoyl(sec-butyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[butan-2-yl-(3-methyl-1-oxobutyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[butan-2-yl(3-methylbutanoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[isovaleryl(sec-butyl)amino]methyl]phenyl] ester Formula: C17H27NO4S MolecularWeight: 341.46558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27NO4S/c1-6-14(4)18(17(19)10-13(2)3)12-15-8-7-9-16(11-15)22-23(5,20)21/h7-9,11,13-14H,6,10,12H2,1-5H3