2-[4-[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[(3R)-1,1-dioxothiolane-3-carbonyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[[(3R)-1,1-dioxo-3-thiolanyl]-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[(3R)-1,1-dioxothiolane-3-carbonyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[(3R)-1,1-diketothiolane-3-carbonyl]piperazino]sulfonylbenzonitrile Formula: C16H19N3O5S2 MolecularWeight: 397.46916

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C16H19N3O5S2/c17-11-13-3-1-2-4-15(13)26(23,24)19-8-6-18(7-9-19)16(20)14-5-10-25(21,22)12-14/h1-4,14H,5-10,12H2/t14-/m0/s1