3-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]sulfonyl-N-(4-tert-butylphenyl)benzamide

Systemtic Name: 3-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]sulfonyl-N-(4-tert-butylphenyl)benzamide Openeye Name: N-(4-tert-butylphenyl)-3-[(3S)-1,1-dioxothiolan-3-yl]sulfonyl-benzamide CAS Name: N-(4-tert-butylphenyl)-3-[[(3S)-1,1-dioxo-3-thiolanyl]sulfonyl]benzamide IUPAC Name: N-(4-tert-butylphenyl)-3-[(3S)-1,1-dioxothiolan-3-yl]sulfonylbenzamide Traditional Name: N-(4-tert-butylphenyl)-3-[(3S)-1,1-diketothiolan-3-yl]sulfonyl-benzamide Formula: C21H25NO5S2 MolecularWeight: 435.5569

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)C3CCS(=O)(=O)C3

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO5S2/c1-21(2,3)16-7-9-17(10-8-16)22-20(23)15-5-4-6-18(13-15)29(26,27)19-11-12-28(24,25)14-19/h4-10,13,19H,11-12,14H2,1-3H3,(H,22,23)/t19-/m0/s1