4-[4-[(2-nitrophenyl)methylsulfonyl]piperazin-1-yl]benzenecarbonitrile

Systemtic Name: 4-[4-[(2-nitrophenyl)methylsulfonyl]piperazin-1-yl]benzenecarbonitrile Openeye Name: 4-[4-[(2-nitrophenyl)methylsulfonyl]piperazin-1-yl]benzonitrile CAS Name: 4-[4-[(2-nitrophenyl)methylsulfonyl]-1-piperazinyl]benzonitrile IUPAC Name: 4-[4-[(2-nitrophenyl)methylsulfonyl]piperazin-1-yl]benzonitrile Traditional Name: 4-[4-(2-nitrobenzyl)sulfonylpiperazino]benzonitrile Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)C#N)S(=O)(=O)CC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)C#N)S(=O)(=O)CC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O4S/c19-13-15-5-7-17(8-6-15)20-9-11-21(12-10-20)27(25,26)14-16-3-1-2-4-18(16)22(23)24/h1-8H,9-12,14H2