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

Systemtic Name: 4-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]benzenecarbonitrile Openeye Name: 4-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]benzonitrile CAS Name: 4-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]benzonitrile IUPAC Name: 4-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]benzonitrile Traditional Name: 4-[4-(2-nitrophenyl)sulfonylpiperazino]benzonitrile Formula: C17H16N4O4S MolecularWeight: 372.39834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O4S/c18-13-14-5-7-15(8-6-14)19-9-11-20(12-10-19)26(24,25)17-4-2-1-3-16(17)21(22)23/h1-8H,9-12H2