4-[4-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]piperazin-4-ium-1-yl]-3-nitro-benzamide

Systemtic Name: 4-[4-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]piperazin-4-ium-1-yl]-3-nitro-benzamide Openeye Name: 4-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-4-ium-1-yl]-3-nitro-benzamide CAS Name: 4-[4-[(3S)-1,1-dioxo-3-thiolanyl]-1-piperazin-4-iumyl]-3-nitrobenzamide IUPAC Name: 4-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-4-ium-1-yl]-3-nitrobenzamide Traditional Name: 4-[4-[(3S)-1,1-diketothiolan-3-yl]piperazin-4-ium-1-yl]-3-nitro-benzamide Formula: C15H21N4O5S+ MolecularWeight: 369.41604

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1[NH+]2CCN(CC2)C3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1[NH+]2CCN(CC2)C3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C15H20N4O5S/c16-15(20)11-1-2-13(14(9-11)19(21)22)18-6-4-17(5-7-18)12-3-8-25(23,24)10-12/h1-2,9,12H,3-8,10H2,(H2,16,20)/p+1/t12-/m0/s1