[4-[[2-methylpropyl(2-phenylbutanoyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[2-methylpropyl(2-phenylbutanoyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[isobutyl(2-phenylbutanoyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[2-methylpropyl-(1-oxo-2-phenylbutyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[2-methylpropyl(2-phenylbutanoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[isobutyl(2-phenylbutanoyl)amino]methyl]phenyl] ester Formula: C22H29NO4S MolecularWeight: 403.53496

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)N(CC2=CC=C(C=C2)OS(=O)(=O)C)CC(C)C

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)N(CC2=CC=C(C=C2)OS(=O)(=O)C)CC(C)C

InChI

InChI=1S/C22H29NO4S/c1-5-21(19-9-7-6-8-10-19)22(24)23(15-17(2)3)16-18-11-13-20(14-12-18)27-28(4,25)26/h6-14,17,21H,5,15-16H2,1-4H3