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

Systemtic Name: 2-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[(3-isobutyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[(3-isobutyl-1,2,4-oxadiazol-5-yl)methyl]piperazino]sulfonylbenzonitrile Formula: C18H23N5O3S MolecularWeight: 389.47192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NOC(=N1)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

CC(C)CC1=NOC(=N1)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C18H23N5O3S/c1-14(2)11-17-20-18(26-21-17)13-22-7-9-23(10-8-22)27(24,25)16-6-4-3-5-15(16)12-19/h3-6,14H,7-11,13H2,1-2H3