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

Systemtic Name: N-[2-[4-(azepan-1-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-nitro-benzenesulfonamide Openeye Name: N-[2-[4-(azepan-1-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-nitro-benzenesulfonamide CAS Name: N-[2-[4-(1-azepanyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[2-[4-(azepan-1-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-nitrobenzenesulfonamide Traditional Name: N-[2-[4-(azepan-1-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-nitro-benzenesulfonamide Formula: C19H23N7O4S MolecularWeight: 445.49542

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC=NC3=C2C=NN3CCNS(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=NC=NC3=C2C=NN3CCNS(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C19H23N7O4S/c27-26(28)16-7-3-4-8-17(16)31(29,30)23-9-12-25-19-15(13-22-25)18(20-14-21-19)24-10-5-1-2-6-11-24/h3-4,7-8,13-14,23H,1-2,5-6,9-12H2