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

Systemtic Name: 2-[4-(4-nitrophenyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(4-nitrophenyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-(4-nitrophenyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(4-nitrophenyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(4-nitrophenyl)piperazino]sulfonylbenzonitrile Formula: C17H16N4O4S MolecularWeight: 372.39834

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C17H16N4O4S/c18-13-14-3-1-2-4-17(14)26(24,25)20-11-9-19(10-12-20)15-5-7-16(8-6-15)21(22)23/h1-8H,9-12H2