2-[4-(3-methylbut-2-enyl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(3-methylbut-2-enyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(3-methylbut-2-enyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-(3-methylbut-2-enyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(3-methylbut-2-enyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(3-methylbut-2-enyl)piperazino]sulfonylbenzonitrile Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C#N)C

Isomeric SMILES

CC(=CCN1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C#N)C

InChI

InChI=1S/C16H21N3O2S/c1-14(2)7-8-18-9-11-19(12-10-18)22(20,21)16-6-4-3-5-15(16)13-17/h3-7H,8-12H2,1-2H3