3-[4-[3-(4-dimethylaminophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]sulfonylbenzoate

Systemtic Name: 3-[4-[3-(4-dimethylaminophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]sulfonylbenzoate Openeye Name: 3-[[4-[3-(4-dimethylaminophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]sulfonyl]benzoate CAS Name: 3-[[4-[3-(4-dimethylaminophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidinyl]sulfonyl]benzoate IUPAC Name: 3-[4-[3-(4-dimethylaminophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 3-[4-[3-(4-dimethylaminophenyl)-1,2,4-oxadiazol-5-yl]piperidino]sulfonylbenzoate Formula: C22H23N4O5S- MolecularWeight: 455.50682

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2=NOC(=N2)C3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)C(=O)[O-]

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C2=NOC(=N2)C3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)C(=O)[O-]

InChI

InChI=1S/C22H24N4O5S/c1-25(2)18-8-6-15(7-9-18)20-23-21(31-24-20)16-10-12-26(13-11-16)32(29,30)19-5-3-4-17(14-19)22(27)28/h3-9,14,16H,10-13H2,1-2H3,(H,27,28)/p-1