2-methyl-5-nitro-N-[2-(4-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]benzenesulfonamide

Systemtic Name: 2-methyl-5-nitro-N-[2-(4-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]benzenesulfonamide Openeye Name: 2-methyl-5-nitro-N-[2-[4-(1-piperidyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]benzenesulfonamide CAS Name: 2-methyl-5-nitro-N-[2-[4-(1-piperidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]benzenesulfonamide IUPAC Name: 2-methyl-5-nitro-N-[2-(4-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]benzenesulfonamide Traditional Name: 2-methyl-5-nitro-N-[2-(4-piperidinopyrazolo[3,4-d]pyrimidin-1-yl)ethyl]benzenesulfonamide Formula: C19H23N7O4S MolecularWeight: 445.49542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCCN2C3=C(C=N2)C(=NC=N3)N4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCCN2C3=C(C=N2)C(=NC=N3)N4CCCCC4

InChI

InChI=1S/C19H23N7O4S/c1-14-5-6-15(26(27)28)11-17(14)31(29,30)23-7-10-25-19-16(12-22-25)18(20-13-21-19)24-8-3-2-4-9-24/h5-6,11-13,23H,2-4,7-10H2,1H3