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

Systemtic Name: [4-[[2-phenylbutanoyl-(phenylmethyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[benzyl(2-phenylbutanoyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[(1-oxo-2-phenylbutyl)-(phenylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[benzyl(2-phenylbutanoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[benzyl(2-phenylbutanoyl)amino]methyl]phenyl] ester Formula: C25H27NO4S MolecularWeight: 437.55118

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)N(CC2=CC=CC=C2)CC3=CC=C(C=C3)OS(=O)(=O)C

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)N(CC2=CC=CC=C2)CC3=CC=C(C=C3)OS(=O)(=O)C

InChI

InChI=1S/C25H27NO4S/c1-3-24(22-12-8-5-9-13-22)25(27)26(18-20-10-6-4-7-11-20)19-21-14-16-23(17-15-21)30-31(2,28)29/h4-17,24H,3,18-19H2,1-2H3