[4-[[butan-2-yl(decanoyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[butan-2-yl(decanoyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[decanoyl(sec-butyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[butan-2-yl(1-oxodecyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[butan-2-yl(decanoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[capryl(sec-butyl)amino]methyl]phenyl] ester Formula: C22H37NO4S MolecularWeight: 411.59848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H37NO4S/c1-5-7-8-9-10-11-12-13-22(24)23(19(3)6-2)18-20-14-16-21(17-15-20)27-28(4,25)26/h14-17,19H,5-13,18H2,1-4H3