(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-(4-piperidin-1-ylsulfonylphenyl)propanoate

Systemtic Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Openeye Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-[4-(1-piperidylsulfonyl)phenyl]propanoate CAS Name: 3-[4-(1-piperidinylsulfonyl)phenyl]propanoic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-piperidinosulfonylphenyl)propionic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C23H25N3O5S MolecularWeight: 455.5267

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCC3=NC(=NO3)C4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCC3=NC(=NO3)C4=CC=CC=C4

InChI

InChI=1S/C23H25N3O5S/c27-22(30-17-21-24-23(25-31-21)19-7-3-1-4-8-19)14-11-18-9-12-20(13-10-18)32(28,29)26-15-5-2-6-16-26/h1,3-4,7-10,12-13H,2,5-6,11,14-17H2