2-[4-(3-nitrophenyl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(3-nitrophenyl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(3-nitrobenzoyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(3-nitrophenyl)-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(3-nitrobenzoyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(3-nitrobenzoyl)piperazino]sulfonylbenzonitrile Formula: C18H16N4O5S MolecularWeight: 400.40844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N4O5S/c19-13-15-4-1-2-7-17(15)28(26,27)21-10-8-20(9-11-21)18(23)14-5-3-6-16(12-14)22(24)25/h1-7,12H,8-11H2