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

Systemtic Name: [3-[[butan-2-yl(heptanoyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[heptanoyl(sec-butyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[butan-2-yl(1-oxoheptyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[butan-2-yl(heptanoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[enanthyl(sec-butyl)amino]methyl]phenyl] ester Formula: C19H31NO4S MolecularWeight: 369.51874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H31NO4S/c1-5-7-8-9-13-19(21)20(16(3)6-2)15-17-11-10-12-18(14-17)24-25(4,22)23/h10-12,14,16H,5-9,13,15H2,1-4H3