4-[4-(3-nitropyridin-2-yl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-(3-nitropyridin-2-yl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-(3-nitro-2-pyridyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-(3-nitro-2-pyridinyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-(3-nitropyridin-2-yl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-(3-nitro-2-pyridyl)piperazino]sulfonylbenzonitrile Formula: C16H15N5O4S MolecularWeight: 373.3864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=CC=N2)[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(CCN1C2=C(C=CC=N2)[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C16H15N5O4S/c17-12-13-3-5-14(6-4-13)26(24,25)20-10-8-19(9-11-20)16-15(21(22)23)2-1-7-18-16/h1-7H,8-11H2