3-[(2-oxidanylidene-5-pyrrolidin-1-ylsulfonyl-pyridin-1-yl)methyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[(2-oxidanylidene-5-pyrrolidin-1-ylsulfonyl-pyridin-1-yl)methyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridyl)methyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[2-oxo-5-(1-pyrrolidinylsulfonyl)-1-pyridinyl]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[(2-oxo-5-pyrrolidin-1-ylsulfonylpyridin-1-yl)methyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[(2-keto-5-pyrrolidinosulfonyl-1-pyridyl)methyl]-1,2,3-benzotriazin-4-one Formula: C17H17N5O4S MolecularWeight: 387.41298

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CN(C(=O)C=C2)CN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CN(C(=O)C=C2)CN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C17H17N5O4S/c23-16-8-7-13(27(25,26)21-9-3-4-10-21)11-20(16)12-22-17(24)14-5-1-2-6-15(14)18-19-22/h1-2,5-8,11H,3-4,9-10,12H2