2-(4-nitrophenyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone

Systemtic Name: 2-(4-nitrophenyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone Openeye Name: 2-(4-nitrophenyl)-1-[4-(2-thienylsulfonyl)piperazin-1-yl]ethanone CAS Name: 2-(4-nitrophenyl)-1-(4-thiophen-2-ylsulfonyl-1-piperazinyl)ethanone IUPAC Name: 2-(4-nitrophenyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone Traditional Name: 2-(4-nitrophenyl)-1-[4-(2-thienylsulfonyl)piperazino]ethanone Formula: C16H17N3O5S2 MolecularWeight: 395.45328

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CCN1C(=O)CC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C16H17N3O5S2/c20-15(12-13-3-5-14(6-4-13)19(21)22)17-7-9-18(10-8-17)26(23,24)16-2-1-11-25-16/h1-6,11H,7-10,12H2