2-[4-[[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]phenyl]benzonitrile CAS Name: 2-[4-[[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]phenyl]benzonitrile Traditional Name: 2-[4-[[4-(3-nitrophenyl)sulfonylpiperazino]methyl]phenyl]benzonitrile Formula: C24H22N4O4S MolecularWeight: 462.52088

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H22N4O4S/c25-17-21-4-1-2-7-24(21)20-10-8-19(9-11-20)18-26-12-14-27(15-13-26)33(31,32)23-6-3-5-22(16-23)28(29)30/h1-11,16H,12-15,18H2