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

Systemtic Name: 3-(3-methoxyphenyl)-5-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]-1,2,4-oxadiazole Openeye Name: 3-(3-methoxyphenyl)-5-[1-(p-tolylsulfonyl)-2-piperidyl]-1,2,4-oxadiazole CAS Name: 3-(3-methoxyphenyl)-5-[1-(4-methylphenyl)sulfonyl-2-piperidinyl]-1,2,4-oxadiazole IUPAC Name: 3-(3-methoxyphenyl)-5-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]-1,2,4-oxadiazole Traditional Name: 3-(3-methoxyphenyl)-5-(1-tosyl-2-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)N2CCCCC2C3=NC(=NO3)C4=CC(=CC=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2C3=NC(=NO3)C4=CC(=CC=C4)OC

InChI

InChI=1S/C21H23N3O4S/c1-15-9-11-18(12-10-15)29(25,26)24-13-4-3-8-19(24)21-22-20(23-28-21)16-6-5-7-17(14-16)27-2/h5-7,9-12,14,19H,3-4,8,13H2,1-2H3