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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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