1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-thiophen-3-yl-ethanone

Systemtic Name: 1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-thiophen-3-yl-ethanone Openeye Name: 1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-(3-thienyl)ethanone CAS Name: 1-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]-2-(3-thiophenyl)ethanone IUPAC Name: 1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-thiophen-3-ylethanone Traditional Name: 1-[4-(3-nitrophenyl)sulfonylpiperazino]-2-(3-thienyl)ethanone Formula: C16H17N3O5S2 MolecularWeight: 395.45328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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