2-[4-[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)acryloyl]piperazino]sulfonylbenzonitrile Formula: C21H18N4O7S MolecularWeight: 470.45522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O7S/c22-13-16-3-1-2-4-20(16)33(29,30)24-9-7-23(8-10-24)21(26)6-5-15-11-18-19(32-14-31-18)12-17(15)25(27)28/h1-6,11-12H,7-10,14H2/b6-5+