[2-[[4-(4-phenylbutoxy)phenyl]methylamino]propanoylamino] methanesulfonate

Systemtic Name: [2-[[4-(4-phenylbutoxy)phenyl]methylamino]propanoylamino] methanesulfonate Openeye Name: [2-[[4-(4-phenylbutoxy)phenyl]methylamino]propanoylamino] methanesulfonate CAS Name: methanesulfonic acid [[1-oxo-2-[[4-(4-phenylbutoxy)phenyl]methylamino]propyl]amino] ester IUPAC Name: [2-[[4-(4-phenylbutoxy)phenyl]methylamino]propanoylamino] methanesulfonate Traditional Name: methanesulfonic acid [2-[[4-(4-phenylbutoxy)benzyl]amino]propanoylamino] ester Formula: C21H28N2O5S MolecularWeight: 420.52242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NOS(=O)(=O)C)NCC1=CC=C(C=C1)OCCCCC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)NOS(=O)(=O)C)NCC1=CC=C(C=C1)OCCCCC2=CC=CC=C2

InChI

InChI=1S/C21H28N2O5S/c1-17(21(24)23-28-29(2,25)26)22-16-19-11-13-20(14-12-19)27-15-7-6-10-18-8-4-3-5-9-18/h3-5,8-9,11-14,17,22H,6-7,10,15-16H2,1-2H3,(H,23,24)