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

Systemtic Name: [[3-oxidanyl-2-[[4-(3-phenylpropoxy)phenyl]methylamino]propanoyl]amino] methanesulfonate Openeye Name: [[3-hydroxy-2-[[4-(3-phenylpropoxy)phenyl]methylamino]propanoyl]amino] methanesulfonate CAS Name: methanesulfonic acid [[3-hydroxy-1-oxo-2-[[4-(3-phenylpropoxy)phenyl]methylamino]propyl]amino] ester IUPAC Name: [[3-hydroxy-2-[[4-(3-phenylpropoxy)phenyl]methylamino]propanoyl]amino] methanesulfonate Traditional Name: methanesulfonic acid [[3-hydroxy-2-[[4-(3-phenylpropoxy)benzyl]amino]propanoyl]amino] ester Formula: C20H26N2O6S MolecularWeight: 422.49524

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)ONC(=O)C(CO)NCC1=CC=C(C=C1)OCCCC2=CC=CC=C2

Isomeric SMILES

CS(=O)(=O)ONC(=O)C(CO)NCC1=CC=C(C=C1)OCCCC2=CC=CC=C2

InChI

InChI=1S/C20H26N2O6S/c1-29(25,26)28-22-20(24)19(15-23)21-14-17-9-11-18(12-10-17)27-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-12,19,21,23H,5,8,13-15H2,1H3,(H,22,24)