[3-[[butan-2-yl(2-phenylbutanoyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [3-[[butan-2-yl(2-phenylbutanoyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[2-phenylbutanoyl(sec-butyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[butan-2-yl-(1-oxo-2-phenylbutyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[butan-2-yl(2-phenylbutanoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[2-phenylbutanoyl(sec-butyl)amino]methyl]phenyl] ester Formula: C22H29NO4S MolecularWeight: 403.53496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C)C(=O)C(CC)C2=CC=CC=C2

Isomeric SMILES

CCC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C)C(=O)C(CC)C2=CC=CC=C2

InChI

InChI=1S/C22H29NO4S/c1-5-17(3)23(22(24)21(6-2)19-12-8-7-9-13-19)16-18-11-10-14-20(15-18)27-28(4,25)26/h7-15,17,21H,5-6,16H2,1-4H3