4-[4-[2-nitro-4-(phenylcarbonyl)phenyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-[2-nitro-4-(phenylcarbonyl)phenyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-(4-benzoyl-2-nitro-phenyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-(4-benzoyl-2-nitrophenyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-(4-benzoyl-2-nitrophenyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-(4-benzoyl-2-nitro-phenyl)piperazino]sulfonylbenzonitrile Formula: C24H20N4O5S MolecularWeight: 476.5044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C24H20N4O5S/c25-17-18-6-9-21(10-7-18)34(32,33)27-14-12-26(13-15-27)22-11-8-20(16-23(22)28(30)31)24(29)19-4-2-1-3-5-19/h1-11,16H,12-15H2