[4-[[heptanoyl(2-methylpropyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[heptanoyl(2-methylpropyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[heptanoyl(isobutyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[2-methylpropyl(1-oxoheptyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[heptanoyl(2-methylpropyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[enanthyl(isobutyl)amino]methyl]phenyl] ester Formula: C19H31NO4S MolecularWeight: 369.51874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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