3-(4-methylphenyl)-5-[[4-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole

Systemtic Name: 3-(4-methylphenyl)-5-[[4-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole Openeye Name: 3-(p-tolyl)-5-[[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole CAS Name: 3-(4-methylphenyl)-5-[[4-[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]-1-piperazinyl]methyl]-1,2,4-oxadiazole IUPAC Name: 3-(4-methylphenyl)-5-[[4-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole Traditional Name: 3-(p-tolyl)-5-[[4-(5-pyrrolidinosulfonyl-2-pyridyl)piperazino]methyl]-1,2,4-oxadiazole Formula: C23H28N6O3S MolecularWeight: 468.57182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NOC(=N2)CN3CCN(CC3)C4=NC=C(C=C4)S(=O)(=O)N5CCCC5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NOC(=N2)CN3CCN(CC3)C4=NC=C(C=C4)S(=O)(=O)N5CCCC5

InChI

InChI=1S/C23H28N6O3S/c1-18-4-6-19(7-5-18)23-25-22(32-26-23)17-27-12-14-28(15-13-27)21-9-8-20(16-24-21)33(30,31)29-10-2-3-11-29/h4-9,16H,2-3,10-15,17H2,1H3