3-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]sulfonylbenzenesulfonamide

Systemtic Name: 3-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]sulfonylbenzenesulfonamide Openeye Name: 3-[4-[[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]sulfonylbenzenesulfonamide CAS Name: 3-[[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-piperazinyl]sulfonyl]benzenesulfonamide IUPAC Name: 3-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]sulfonylbenzenesulfonamide Traditional Name: 3-[4-[[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methyl]piperazino]sulfonylbenzenesulfonamide Formula: C20H23N5O5S2 MolecularWeight: 477.55712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5O5S2/c1-15-5-7-16(8-6-15)20-22-19(30-23-20)14-24-9-11-25(12-10-24)32(28,29)18-4-2-3-17(13-18)31(21,26)27/h2-8,13H,9-12,14H2,1H3,(H2,21,26,27)