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

Systemtic Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-pyridin-3-yl-ethyl]-1,1-bis(oxidanylidene)-2,5-dihydrothiophene-3-sulfonamide Openeye Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-(3-pyridyl)ethyl]-1,1-dioxo-2,5-dihydrothiophene-3-sulfonamide CAS Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-(3-pyridinyl)ethyl]-1,1-dioxo-2,5-dihydrothiophene-3-sulfonamide IUPAC Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-pyridin-3-ylethyl]-1,1-dioxo-2,5-dihydrothiophene-3-sulfonamide Traditional Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-(3-pyridyl)ethyl]-1,1-diketo-2,5-dihydrothiophene-3-sulfonamide Formula: C18H18N2O8S3 MolecularWeight: 486.53912

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O8S3/c21-29(22)7-5-15(11-29)31(25,26)20-10-18(13-2-1-6-19-9-13)30(23,24)14-3-4-16-17(8-14)28-12-27-16/h1-6,8-9,18,20H,7,10-12H2