2-[4-[2-(2-nitrophenyl)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-(2-nitrophenyl)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-(2-nitrophenyl)acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-(2-nitrophenyl)-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-(2-nitrophenyl)acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-(2-nitrophenyl)acetyl]piperazino]sulfonylbenzonitrile Formula: C19H18N4O5S MolecularWeight: 414.43502

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CC2=CC=CC=C2[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C1CN(CCN1C(=O)CC2=CC=CC=C2[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C19H18N4O5S/c20-14-16-6-2-4-8-18(16)29(27,28)22-11-9-21(10-12-22)19(24)13-15-5-1-3-7-17(15)23(25)26/h1-8H,9-13H2