1-[3-nitro-4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)phenyl]ethanone

Systemtic Name: 1-[3-nitro-4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)phenyl]ethanone Openeye Name: 1-[3-nitro-4-[4-(2-thienylsulfonyl)piperazin-1-yl]phenyl]ethanone CAS Name: 1-[3-nitro-4-(4-thiophen-2-ylsulfonyl-1-piperazinyl)phenyl]ethanone IUPAC Name: 1-[3-nitro-4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)phenyl]ethanone Traditional Name: 1-[3-nitro-4-[4-(2-thienylsulfonyl)piperazino]phenyl]ethanone Formula: C16H17N3O5S2 MolecularWeight: 395.45328

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O5S2/c1-12(20)13-4-5-14(15(11-13)19(21)22)17-6-8-18(9-7-17)26(23,24)16-3-2-10-25-16/h2-5,10-11H,6-9H2,1H3