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

Systemtic Name: 1-[4-[1,1-bis(oxidanylidene)thiolan-3-yl]carbonylpiperazin-1-yl]-2-(3-nitrophenoxy)ethanone Openeye Name: 1-[4-(1,1-dioxothiolane-3-carbonyl)piperazin-1-yl]-2-(3-nitrophenoxy)ethanone CAS Name: 1-[4-[(1,1-dioxo-3-thiolanyl)-oxomethyl]-1-piperazinyl]-2-(3-nitrophenoxy)ethanone IUPAC Name: 1-[4-(1,1-dioxothiolane-3-carbonyl)piperazin-1-yl]-2-(3-nitrophenoxy)ethanone Traditional Name: 1-[4-(1,1-diketothiolane-3-carbonyl)piperazino]-2-(3-nitrophenoxy)ethanone Formula: C17H21N3O7S MolecularWeight: 411.42954

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1C(=O)N2CCN(CC2)C(=O)COC3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1CS(=O)(=O)CC1C(=O)N2CCN(CC2)C(=O)COC3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O7S/c21-16(11-27-15-3-1-2-14(10-15)20(23)24)18-5-7-19(8-6-18)17(22)13-4-9-28(25,26)12-13/h1-3,10,13H,4-9,11-12H2