N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-pyridin-3-yl-ethyl]-4-oxidanyl-1,1-bis(oxidanylidene)thiolane-3-sulfonamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-pyridin-3-yl-ethyl]-4-oxidanyl-1,1-bis(oxidanylidene)thiolane-3-sulfonamide Openeye Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-(3-pyridyl)ethyl]-4-hydroxy-1,1-dioxo-thiolane-3-sulfonamide CAS Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-(3-pyridinyl)ethyl]-4-hydroxy-1,1-dioxo-3-thiolanesulfonamide IUPAC Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-pyridin-3-ylethyl]-4-hydroxy-1,1-dioxothiolane-3-sulfonamide Traditional Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-(3-pyridyl)ethyl]-4-hydroxy-1,1-diketo-thiolane-3-sulfonamide Formula: C18H20N2O9S3 MolecularWeight: 504.5544

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(CS1(=O)=O)S(=O)(=O)NCC(C2=CN=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)OCO4)O

Isomeric SMILES

C1C(C(CS1(=O)=O)S(=O)(=O)NCC(C2=CN=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)OCO4)O

InChI

InChI=1S/C18H20N2O9S3/c21-14-9-30(22,23)10-18(14)32(26,27)20-8-17(12-2-1-5-19-7-12)31(24,25)13-3-4-15-16(6-13)29-11-28-15/h1-7,14,17-18,20-21H,8-11H2