[4-[[2-ethylhexanoyl(2-methylpropyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[2-ethylhexanoyl(2-methylpropyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[2-ethylhexanoyl(isobutyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[(2-ethyl-1-oxohexyl)-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[2-ethylhexanoyl(2-methylpropyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[2-ethylhexanoyl(isobutyl)amino]methyl]phenyl] ester Formula: C20H33NO4S MolecularWeight: 383.54532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H33NO4S/c1-6-8-9-18(7-2)20(22)21(14-16(3)4)15-17-10-12-19(13-11-17)25-26(5,23)24/h10-13,16,18H,6-9,14-15H2,1-5H3