4-[4-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-[(3-o-phenetyl-1,2,4-oxadiazol-5-yl)methyl]piperazino]sulfonylbenzonitrile Formula: C22H23N5O4S MolecularWeight: 453.51412

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2=NOC(=N2)CN3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

CCOC1=CC=CC=C1C2=NOC(=N2)CN3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H23N5O4S/c1-2-30-20-6-4-3-5-19(20)22-24-21(31-25-22)16-26-11-13-27(14-12-26)32(28,29)18-9-7-17(15-23)8-10-18/h3-10H,2,11-14,16H2,1H3