2-[4-(5-nitrothiophen-3-yl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(5-nitrothiophen-3-yl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(5-nitrothiophene-3-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(5-nitro-3-thiophenyl)-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(5-nitrothiophene-3-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(5-nitrothiophene-3-carbonyl)piperazino]sulfonylbenzonitrile Formula: C16H14N4O5S2 MolecularWeight: 406.43616

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CSC(=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C1CN(CCN1C(=O)C2=CSC(=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C16H14N4O5S2/c17-10-12-3-1-2-4-14(12)27(24,25)19-7-5-18(6-8-19)16(21)13-9-15(20(22)23)26-11-13/h1-4,9,11H,5-8H2