5-nitro-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)benzenecarbonitrile

Systemtic Name: 5-nitro-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)benzenecarbonitrile Openeye Name: 5-nitro-2-[4-(2-thienylsulfonyl)piperazin-1-yl]benzonitrile CAS Name: 5-nitro-2-(4-thiophen-2-ylsulfonyl-1-piperazinyl)benzonitrile IUPAC Name: 5-nitro-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)benzonitrile Traditional Name: 5-nitro-2-[4-(2-thienylsulfonyl)piperazino]benzonitrile Formula: C15H14N4O4S2 MolecularWeight: 378.42606

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])C#N)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])C#N)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C15H14N4O4S2/c16-11-12-10-13(19(20)21)3-4-14(12)17-5-7-18(8-6-17)25(22,23)15-2-1-9-24-15/h1-4,9-10H,5-8H2