1,1-bis(oxidanylidene)-2-[2-(2-oxidanylidene-5-pyrrolidin-1-ylsulfonyl-pyridin-1-yl)ethyl]-1,2-benzothiazol-3-one

Systemtic Name: 1,1-bis(oxidanylidene)-2-[2-(2-oxidanylidene-5-pyrrolidin-1-ylsulfonyl-pyridin-1-yl)ethyl]-1,2-benzothiazol-3-one Openeye Name: 1,1-dioxo-2-[2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridyl)ethyl]-1,2-benzothiazol-3-one CAS Name: 1,1-dioxo-2-[2-[2-oxo-5-(1-pyrrolidinylsulfonyl)-1-pyridinyl]ethyl]-1,2-benzothiazol-3-one IUPAC Name: 1,1-dioxo-2-[2-(2-oxo-5-pyrrolidin-1-ylsulfonylpyridin-1-yl)ethyl]-1,2-benzothiazol-3-one Traditional Name: 1,1-diketo-2-[2-(2-keto-5-pyrrolidinosulfonyl-1-pyridyl)ethyl]-1,2-benzothiazol-3-one Formula: C18H19N3O6S2 MolecularWeight: 437.48996

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CN(C(=O)C=C2)CCN3C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CN(C(=O)C=C2)CCN3C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C18H19N3O6S2/c22-17-8-7-14(28(24,25)20-9-3-4-10-20)13-19(17)11-12-21-18(23)15-5-1-2-6-16(15)29(21,26)27/h1-2,5-8,13H,3-4,9-12H2