[5-[[butan-2-yl(hexanoyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate

Systemtic Name: [5-[[butan-2-yl(hexanoyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate Openeye Name: [5-[[hexanoyl(sec-butyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[[butan-2-yl(1-oxohexyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[butan-2-yl(hexanoyl)amino]methyl]-2-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[caproyl(sec-butyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C19H31NO5S MolecularWeight: 385.51814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C)C(C)CC

Isomeric SMILES

CCCCCC(=O)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C)C(C)CC

InChI

InChI=1S/C19H31NO5S/c1-6-8-9-10-19(21)20(15(3)7-2)14-16-11-12-17(24-4)18(13-16)25-26(5,22)23/h11-13,15H,6-10,14H2,1-5H3