2-(3-methylphenyl)-5-[[4-(phenylmethyl)sulfonylpiperazin-1-yl]methyl]-1,3,4-oxadiazole

Systemtic Name: 2-(3-methylphenyl)-5-[[4-(phenylmethyl)sulfonylpiperazin-1-yl]methyl]-1,3,4-oxadiazole Openeye Name: 2-[(4-benzylsulfonylpiperazin-1-yl)methyl]-5-(m-tolyl)-1,3,4-oxadiazole CAS Name: 2-(3-methylphenyl)-5-[[4-(phenylmethyl)sulfonyl-1-piperazinyl]methyl]-1,3,4-oxadiazole IUPAC Name: 2-[(4-benzylsulfonylpiperazin-1-yl)methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole Traditional Name: 2-[(4-benzylsulfonylpiperazino)methyl]-5-(m-tolyl)-1,3,4-oxadiazole Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(O2)CN3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(O2)CN3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C21H24N4O3S/c1-17-6-5-9-19(14-17)21-23-22-20(28-21)15-24-10-12-25(13-11-24)29(26,27)16-18-7-3-2-4-8-18/h2-9,14H,10-13,15-16H2,1H3