N-(2-acetamidoethyl)-5-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]sulfonyl-2-fluoranyl-benzamide

Systemtic Name: N-(2-acetamidoethyl)-5-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]sulfonyl-2-fluoranyl-benzamide Openeye Name: N-(2-acetamidoethyl)-5-[(3S)-1,1-dioxothiolan-3-yl]sulfonyl-2-fluoro-benzamide CAS Name: N-(2-acetamidoethyl)-5-[[(3S)-1,1-dioxo-3-thiolanyl]sulfonyl]-2-fluorobenzamide IUPAC Name: N-(2-acetamidoethyl)-5-[(3S)-1,1-dioxothiolan-3-yl]sulfonyl-2-fluorobenzamide Traditional Name: N-(2-acetamidoethyl)-5-[(3S)-1,1-diketothiolan-3-yl]sulfonyl-2-fluoro-benzamide Formula: C15H19FN2O6S2 MolecularWeight: 406.449563

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC(=O)C1=C(C=CC(=C1)S(=O)(=O)C2CCS(=O)(=O)C2)F

Isomeric SMILES

CC(=O)NCCNC(=O)C1=C(C=CC(=C1)S(=O)(=O)[C@H]2CCS(=O)(=O)C2)F

InChI

InChI=1S/C15H19FN2O6S2/c1-10(19)17-5-6-18-15(20)13-8-11(2-3-14(13)16)26(23,24)12-4-7-25(21,22)9-12/h2-3,8,12H,4-7,9H2,1H3,(H,17,19)(H,18,20)/t12-/m0/s1