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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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