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

Systemtic Name: 3-(4-bromophenyl)-5-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]-1,2,4-oxadiazole Openeye Name: 3-(4-bromophenyl)-5-[1-(p-tolylsulfonyl)-2-piperidyl]-1,2,4-oxadiazole CAS Name: 3-(4-bromophenyl)-5-[1-(4-methylphenyl)sulfonyl-2-piperidinyl]-1,2,4-oxadiazole IUPAC Name: 3-(4-bromophenyl)-5-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]-1,2,4-oxadiazole Traditional Name: 3-(4-bromophenyl)-5-(1-tosyl-2-piperidyl)-1,2,4-oxadiazole Formula: C20H20BrN3O3S MolecularWeight: 462.3601

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrN3O3S/c1-14-5-11-17(12-6-14)28(25,26)24-13-3-2-4-18(24)20-22-19(23-27-20)15-7-9-16(21)10-8-15/h5-12,18H,2-4,13H2,1H3