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

Systemtic Name: 4-[4-[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]carbonylpiperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 4-[4-[(3R)-1,1-dioxothiolane-3-carbonyl]piperazine-1-carbonyl]benzonitrile CAS Name: 4-[[4-[[(3R)-1,1-dioxo-3-thiolanyl]-oxomethyl]-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 4-[4-[(3R)-1,1-dioxothiolane-3-carbonyl]piperazine-1-carbonyl]benzonitrile Traditional Name: 4-[4-[(3R)-1,1-diketothiolane-3-carbonyl]piperazine-1-carbonyl]benzonitrile Formula: C17H19N3O4S MolecularWeight: 361.41546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O4S/c18-11-13-1-3-14(4-2-13)16(21)19-6-8-20(9-7-19)17(22)15-5-10-25(23,24)12-15/h1-4,15H,5-10,12H2/t15-/m0/s1