4-[4-[(E)-hex-2-enoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-[(E)-hex-2-enoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[(E)-hex-2-enoyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[(E)-1-oxohex-2-enyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[(E)-hex-2-enoyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-[(E)-hex-2-enoyl]piperazino]sulfonylbenzonitrile Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

CCCC=CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

CCC/C=C/C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C17H21N3O3S/c1-2-3-4-5-17(21)19-10-12-20(13-11-19)24(22,23)16-8-6-15(14-18)7-9-16/h4-9H,2-3,10-13H2,1H3/b5-4+