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

Systemtic Name: [4-[[3-cyclopentylpropanoyl(3-methylbutyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[3-cyclopentylpropanoyl(isopentyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[(3-cyclopentyl-1-oxopropyl)-(3-methylbutyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[3-cyclopentylpropanoyl(3-methylbutyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[3-cyclopentylpropanoyl(isoamyl)amino]methyl]phenyl] ester Formula: C21H33NO4S MolecularWeight: 395.55602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)CCC2CCCC2

Isomeric SMILES

CC(C)CCN(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)CCC2CCCC2

InChI

InChI=1S/C21H33NO4S/c1-17(2)14-15-22(21(23)13-10-18-6-4-5-7-18)16-19-8-11-20(12-9-19)26-27(3,24)25/h8-9,11-12,17-18H,4-7,10,13-16H2,1-3H3