2-[4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]piperazino]sulfonylbenzonitrile Formula: C21H19N3O5S MolecularWeight: 425.45766

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C=CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C(=O)/C=C/C2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C21H19N3O5S/c22-14-17-3-1-2-4-20(17)30(26,27)24-11-9-23(10-12-24)21(25)8-6-16-5-7-18-19(13-16)29-15-28-18/h1-8,13H,9-12,15H2/b8-6+