2-nitro-N-[2-(4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]benzenesulfonamide

Systemtic Name: 2-nitro-N-[2-(4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]benzenesulfonamide Openeye Name: 2-nitro-N-[2-(4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]benzenesulfonamide CAS Name: 2-nitro-N-[2-[4-(1-pyrrolidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]benzenesulfonamide IUPAC Name: 2-nitro-N-[2-(4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]benzenesulfonamide Traditional Name: 2-nitro-N-[2-(4-pyrrolidinopyrazolo[3,4-d]pyrimidin-1-yl)ethyl]benzenesulfonamide Formula: C17H19N7O4S MolecularWeight: 417.44226

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC=NC3=C2C=NN3CCNS(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=NC=NC3=C2C=NN3CCNS(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C17H19N7O4S/c25-24(26)14-5-1-2-6-15(14)29(27,28)21-7-10-23-17-13(11-20-23)16(18-12-19-17)22-8-3-4-9-22/h1-2,5-6,11-12,21H,3-4,7-10H2