1-[4-[1,1-bis(oxidanylidene)thiolan-3-yl]piperazin-1-yl]-2-(2-methoxy-5-nitro-phenoxy)ethanone

Systemtic Name: 1-[4-[1,1-bis(oxidanylidene)thiolan-3-yl]piperazin-1-yl]-2-(2-methoxy-5-nitro-phenoxy)ethanone Openeye Name: 1-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-2-(2-methoxy-5-nitro-phenoxy)ethanone CAS Name: 1-[4-(1,1-dioxo-3-thiolanyl)-1-piperazinyl]-2-(2-methoxy-5-nitrophenoxy)ethanone IUPAC Name: 1-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-2-(2-methoxy-5-nitrophenoxy)ethanone Traditional Name: 1-[4-(1,1-diketothiolan-3-yl)piperazino]-2-(2-methoxy-5-nitro-phenoxy)ethanone Formula: C17H23N3O7S MolecularWeight: 413.44542

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])OCC(=O)N2CCN(CC2)C3CCS(=O)(=O)C3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])OCC(=O)N2CCN(CC2)C3CCS(=O)(=O)C3

InChI

InChI=1S/C17H23N3O7S/c1-26-15-3-2-13(20(22)23)10-16(15)27-11-17(21)19-7-5-18(6-8-19)14-4-9-28(24,25)12-14/h2-3,10,14H,4-9,11-12H2,1H3