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

Systemtic Name: 3-[4-[3-(4-dimethylaminophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]sulfonylbenzoic acid Openeye Name: 3-[[4-[3-(4-dimethylaminophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]sulfonyl]benzoic acid CAS Name: 3-[[4-[3-(4-dimethylaminophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidinyl]sulfonyl]benzoic acid IUPAC Name: 3-[4-[3-(4-dimethylaminophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]sulfonylbenzoic acid Traditional Name: 3-[4-[3-(4-dimethylaminophenyl)-1,2,4-oxadiazol-5-yl]piperidino]sulfonylbenzoic acid Formula: C22H24N4O5S MolecularWeight: 456.51476

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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)