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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)C(CC)C2=CC=CC=C2

Isomeric SMILES

CCCCN(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)[C@H](CC)C2=CC=CC=C2

InChI

InChI=1S/C22H29NO4S/c1-4-6-16-23(22(24)21(5-2)19-10-8-7-9-11-19)17-18-12-14-20(15-13-18)27-28(3,25)26/h7-15,21H,4-6,16-17H2,1-3H3/t21-/m1/s1