[4-[[heptanoyl(3-methylbutyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[heptanoyl(3-methylbutyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[heptanoyl(isopentyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[3-methylbutyl(1-oxoheptyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[heptanoyl(3-methylbutyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[enanthyl(isoamyl)amino]methyl]phenyl] ester Formula: C20H33NO4S MolecularWeight: 383.54532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H33NO4S/c1-5-6-7-8-9-20(22)21(15-14-17(2)3)16-18-10-12-19(13-11-18)25-26(4,23)24/h10-13,17H,5-9,14-16H2,1-4H3