[4-[[butyl(hexanoyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[butyl(hexanoyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[butyl(hexanoyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[butyl(1-oxohexyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[butyl(hexanoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[butyl(caproyl)amino]methyl]phenyl] ester Formula: C18H29NO4S MolecularWeight: 355.49216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29NO4S/c1-4-6-8-9-18(20)19(14-7-5-2)15-16-10-12-17(13-11-16)23-24(3,21)22/h10-13H,4-9,14-15H2,1-3H3