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

Systemtic Name: 5-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]sulfonyl-N-(2-tert-butylphenyl)-2-fluoranyl-benzamide Openeye Name: N-(2-tert-butylphenyl)-5-[(3S)-1,1-dioxothiolan-3-yl]sulfonyl-2-fluoro-benzamide CAS Name: N-(2-tert-butylphenyl)-5-[[(3S)-1,1-dioxo-3-thiolanyl]sulfonyl]-2-fluorobenzamide IUPAC Name: N-(2-tert-butylphenyl)-5-[(3S)-1,1-dioxothiolan-3-yl]sulfonyl-2-fluorobenzamide Traditional Name: N-(2-tert-butylphenyl)-5-[(3S)-1,1-diketothiolan-3-yl]sulfonyl-2-fluoro-benzamide Formula: C21H24FNO5S2 MolecularWeight: 453.547363

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)S(=O)(=O)C3CCS(=O)(=O)C3)F

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)S(=O)(=O)[C@H]3CCS(=O)(=O)C3)F

InChI

InChI=1S/C21H24FNO5S2/c1-21(2,3)17-6-4-5-7-19(17)23-20(24)16-12-14(8-9-18(16)22)30(27,28)15-10-11-29(25,26)13-15/h4-9,12,15H,10-11,13H2,1-3H3,(H,23,24)/t15-/m0/s1