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

Systemtic Name: 4-nitro-N-[2-(4-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]benzenesulfonamide Openeye Name: 4-nitro-N-[2-[4-(1-piperidyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]benzenesulfonamide CAS Name: 4-nitro-N-[2-[4-(1-piperidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]benzenesulfonamide IUPAC Name: 4-nitro-N-[2-(4-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]benzenesulfonamide Traditional Name: 4-nitro-N-[2-(4-piperidinopyrazolo[3,4-d]pyrimidin-1-yl)ethyl]benzenesulfonamide Formula: C18H21N7O4S MolecularWeight: 431.46884

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC=NC3=C2C=NN3CCNS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=NC=NC3=C2C=NN3CCNS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H21N7O4S/c26-25(27)14-4-6-15(7-5-14)30(28,29)22-8-11-24-18-16(12-21-24)17(19-13-20-18)23-9-2-1-3-10-23/h4-7,12-13,22H,1-3,8-11H2