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

Systemtic Name: 3-[[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methyl]benzonitrile CAS Name: 3-[[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]methyl]benzonitrile IUPAC Name: 3-[[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-(2-nitrophenyl)sulfonylpiperazino]methyl]benzonitrile Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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