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

Systemtic Name: 3-(3-methoxyphenyl)-5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazole Openeye Name: 3-(3-methoxyphenyl)-5-[1-(p-tolylsulfonyl)-3-piperidyl]-1,2,4-oxadiazole CAS Name: 3-(3-methoxyphenyl)-5-[1-(4-methylphenyl)sulfonyl-3-piperidinyl]-1,2,4-oxadiazole IUPAC Name: 3-(3-methoxyphenyl)-5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazole Traditional Name: 3-(3-methoxyphenyl)-5-(1-tosyl-3-piperidyl)-1,2,4-oxadiazole Formula: C21H23N3O4S MolecularWeight: 413.49002

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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(=CC=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4S/c1-15-8-10-19(11-9-15)29(25,26)24-12-4-6-17(14-24)21-22-20(23-28-21)16-5-3-7-18(13-16)27-2/h3,5,7-11,13,17H,4,6,12,14H2,1-2H3