3-(3,4-dimethoxyphenyl)-5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazole

Systemtic Name: 3-(3,4-dimethoxyphenyl)-5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazole Openeye Name: 3-(3,4-dimethoxyphenyl)-5-[1-(p-tolylsulfonyl)-3-piperidyl]-1,2,4-oxadiazole CAS Name: 3-(3,4-dimethoxyphenyl)-5-[1-(4-methylphenyl)sulfonyl-3-piperidinyl]-1,2,4-oxadiazole IUPAC Name: 3-(3,4-dimethoxyphenyl)-5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazole Traditional Name: 3-(3,4-dimethoxyphenyl)-5-(1-tosyl-3-piperidyl)-1,2,4-oxadiazole Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C3=NC(=NO3)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C3=NC(=NO3)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C22H25N3O5S/c1-15-6-9-18(10-7-15)31(26,27)25-12-4-5-17(14-25)22-23-21(24-30-22)16-8-11-19(28-2)20(13-16)29-3/h6-11,13,17H,4-5,12,14H2,1-3H3