3-[4-(4-nitrophenyl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 3-[4-(4-nitrophenyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 3-[4-(4-nitrophenyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 3-[[4-(4-nitrophenyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 3-[4-(4-nitrophenyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 3-[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(=C3)C#N

Isomeric SMILES

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

InChI

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