[methyl-[3-oxidanyl-2-[[4-(3-phenylpropoxy)phenyl]methylamino]propanoyl]amino] methanesulfonate

Systemtic Name: [methyl-[3-oxidanyl-2-[[4-(3-phenylpropoxy)phenyl]methylamino]propanoyl]amino] methanesulfonate Openeye Name: [[3-hydroxy-2-[[4-(3-phenylpropoxy)phenyl]methylamino]propanoyl]-methyl-amino] methanesulfonate CAS Name: methanesulfonic acid [[3-hydroxy-1-oxo-2-[[4-(3-phenylpropoxy)phenyl]methylamino]propyl]-methylamino] ester IUPAC Name: [[3-hydroxy-2-[[4-(3-phenylpropoxy)phenyl]methylamino]propanoyl]-methylamino] methanesulfonate Traditional Name: methanesulfonic acid [[3-hydroxy-2-[[4-(3-phenylpropoxy)benzyl]amino]propanoyl]-methyl-amino] ester Formula: C21H28N2O6S MolecularWeight: 436.52182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)C(CO)NCC1=CC=C(C=C1)OCCCC2=CC=CC=C2)OS(=O)(=O)C

Isomeric SMILES

CN(C(=O)C(CO)NCC1=CC=C(C=C1)OCCCC2=CC=CC=C2)OS(=O)(=O)C

InChI

InChI=1S/C21H28N2O6S/c1-23(29-30(2,26)27)21(25)20(16-24)22-15-18-10-12-19(13-11-18)28-14-6-9-17-7-4-3-5-8-17/h3-5,7-8,10-13,20,22,24H,6,9,14-16H2,1-2H3