1-[4-[1,1-bis(oxidanylidene)thiolan-3-yl]piperazin-1-yl]-2-(3-nitrophenoxy)ethanone

Systemtic Name: 1-[4-[1,1-bis(oxidanylidene)thiolan-3-yl]piperazin-1-yl]-2-(3-nitrophenoxy)ethanone Openeye Name: 1-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-2-(3-nitrophenoxy)ethanone CAS Name: 1-[4-(1,1-dioxo-3-thiolanyl)-1-piperazinyl]-2-(3-nitrophenoxy)ethanone IUPAC Name: 1-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-2-(3-nitrophenoxy)ethanone Traditional Name: 1-[4-(1,1-diketothiolan-3-yl)piperazino]-2-(3-nitrophenoxy)ethanone Formula: C16H21N3O6S MolecularWeight: 383.41944

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1N2CCN(CC2)C(=O)COC3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1CS(=O)(=O)CC1N2CCN(CC2)C(=O)COC3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H21N3O6S/c20-16(11-25-15-3-1-2-13(10-15)19(21)22)18-7-5-17(6-8-18)14-4-9-26(23,24)12-14/h1-3,10,14H,4-9,11-12H2