[3-[[2-ethylhexanoyl(propan-2-yl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [3-[[2-ethylhexanoyl(propan-2-yl)amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[2-ethylhexanoyl(isopropyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[(2-ethyl-1-oxohexyl)-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[2-ethylhexanoyl(propan-2-yl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[2-ethylhexanoyl(isopropyl)amino]methyl]phenyl] ester Formula: C19H31NO4S MolecularWeight: 369.51874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H31NO4S/c1-6-8-11-17(7-2)19(21)20(15(3)4)14-16-10-9-12-18(13-16)24-25(5,22)23/h9-10,12-13,15,17H,6-8,11,14H2,1-5H3