4-[4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NOC(=N1)C(C)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)C1=NOC(=N1)C(C)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H23N5O3S/c1-13(2)17-20-18(26-21-17)14(3)22-8-10-23(11-9-22)27(24,25)16-6-4-15(12-19)5-7-16/h4-7,13-14H,8-11H2,1-3H3