2-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-(phenylmethylsulfanyl)-1,3,4-oxadiazole

Systemtic Name: 2-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-(phenylmethylsulfanyl)-1,3,4-oxadiazole Openeye Name: 2-benzylsulfanyl-5-[4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]-1,3,4-oxadiazole CAS Name: 2-[4-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]-5-(phenylmethylthio)-1,3,4-oxadiazole IUPAC Name: 2-benzylsulfanyl-5-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3,4-oxadiazole Traditional Name: 2-(benzylthio)-5-[4-(4-methylpiperidino)sulfonylphenyl]-1,3,4-oxadiazole Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NN=C(O3)SCC4=CC=CC=C4

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NN=C(O3)SCC4=CC=CC=C4

InChI

InChI=1S/C21H23N3O3S2/c1-16-11-13-24(14-12-16)29(25,26)19-9-7-18(8-10-19)20-22-23-21(27-20)28-15-17-5-3-2-4-6-17/h2-10,16H,11-15H2,1H3