[4-[[3-methylbutyl(2-phenoxyethanoyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[3-methylbutyl(2-phenoxyethanoyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[isopentyl-(2-phenoxyacetyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[3-methylbutyl-(1-oxo-2-phenoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[3-methylbutyl-(2-phenoxyacetyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[isoamyl-(2-phenoxyacetyl)amino]methyl]phenyl] ester Formula: C21H27NO5S MolecularWeight: 405.50778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)COC2=CC=CC=C2

Isomeric SMILES

CC(C)CCN(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)COC2=CC=CC=C2

InChI

InChI=1S/C21H27NO5S/c1-17(2)13-14-22(21(23)16-26-19-7-5-4-6-8-19)15-18-9-11-20(12-10-18)27-28(3,24)25/h4-12,17H,13-16H2,1-3H3