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

Systemtic Name: [4-[[3-methylbutyl(3-phenylpropanoyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[isopentyl(3-phenylpropanoyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[3-methylbutyl-(1-oxo-3-phenylpropyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[3-methylbutyl(3-phenylpropanoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[hydrocinnamoyl(isoamyl)amino]methyl]phenyl] ester Formula: C22H29NO4S MolecularWeight: 403.53496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)CCC2=CC=CC=C2

Isomeric SMILES

CC(C)CCN(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C22H29NO4S/c1-18(2)15-16-23(22(24)14-11-19-7-5-4-6-8-19)17-20-9-12-21(13-10-20)27-28(3,25)26/h4-10,12-13,18H,11,14-17H2,1-3H3