4-[4-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]piperazin-1-yl]benzoic acid

Systemtic Name: 4-[4-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]piperazin-1-yl]benzoic acid Openeye Name: 4-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-1-yl]benzoic acid CAS Name: 4-[4-[(3S)-1,1-dioxo-3-thiolanyl]-1-piperazinyl]benzoic acid IUPAC Name: 4-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-1-yl]benzoic acid Traditional Name: 4-[4-[(3S)-1,1-diketothiolan-3-yl]piperazino]benzoic acid Formula: C15H20N2O4S MolecularWeight: 324.3953

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1N2CCN(CC2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O4S/c18-15(19)12-1-3-13(4-2-12)16-6-8-17(9-7-16)14-5-10-22(20,21)11-14/h1-4,14H,5-11H2,(H,18,19)/t14-/m0/s1