[2-[[4-(3-phenylpropoxy)phenyl]methylamino]propanoylamino] methanesulfonate

Systemtic Name: [2-[[4-(3-phenylpropoxy)phenyl]methylamino]propanoylamino] methanesulfonate Openeye Name: [2-[[4-(3-phenylpropoxy)phenyl]methylamino]propanoylamino] methanesulfonate CAS Name: methanesulfonic acid [[1-oxo-2-[[4-(3-phenylpropoxy)phenyl]methylamino]propyl]amino] ester IUPAC Name: [2-[[4-(3-phenylpropoxy)phenyl]methylamino]propanoylamino] methanesulfonate Traditional Name: methanesulfonic acid [2-[[4-(3-phenylpropoxy)benzyl]amino]propanoylamino] ester Formula: C20H26N2O5S MolecularWeight: 406.49584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NOS(=O)(=O)C)NCC1=CC=C(C=C1)OCCCC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)NOS(=O)(=O)C)NCC1=CC=C(C=C1)OCCCC2=CC=CC=C2

InChI

InChI=1S/C20H26N2O5S/c1-16(20(23)22-27-28(2,24)25)21-15-18-10-12-19(13-11-18)26-14-6-9-17-7-4-3-5-8-17/h3-5,7-8,10-13,16,21H,6,9,14-15H2,1-2H3,(H,22,23)