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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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