5-[1,1-bis(oxidanylidene)thiolan-3-yl]sulfonyl-2-chloranyl-N-(pyridin-4-ylmethyl)benzamide

Systemtic Name: 5-[1,1-bis(oxidanylidene)thiolan-3-yl]sulfonyl-2-chloranyl-N-(pyridin-4-ylmethyl)benzamide Openeye Name: 2-chloro-5-(1,1-dioxothiolan-3-yl)sulfonyl-N-(4-pyridylmethyl)benzamide CAS Name: 2-chloro-5-[(1,1-dioxo-3-thiolanyl)sulfonyl]-N-(pyridin-4-ylmethyl)benzamide IUPAC Name: 2-chloro-5-(1,1-dioxothiolan-3-yl)sulfonyl-N-(pyridin-4-ylmethyl)benzamide Traditional Name: 2-chloro-5-(1,1-diketothiolan-3-yl)sulfonyl-N-(4-pyridylmethyl)benzamide Formula: C17H17ClN2O5S2 MolecularWeight: 428.91028

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NCC3=CC=NC=C3

Isomeric SMILES

C1CS(=O)(=O)CC1S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NCC3=CC=NC=C3

InChI

InChI=1S/C17H17ClN2O5S2/c18-16-2-1-13(27(24,25)14-5-8-26(22,23)11-14)9-15(16)17(21)20-10-12-3-6-19-7-4-12/h1-4,6-7,9,14H,5,8,10-11H2,(H,20,21)