3-chloranyl-N-[4-[(1-cycloheptylpyrazolo[3,4-d]pyrimidin-6-yl)amino]phenyl]propane-1-sulfonamide

Systemtic Name: 3-chloranyl-N-[4-[(1-cycloheptylpyrazolo[3,4-d]pyrimidin-6-yl)amino]phenyl]propane-1-sulfonamide Openeye Name: 3-chloro-N-[4-[(1-cycloheptylpyrazolo[3,4-d]pyrimidin-6-yl)amino]phenyl]propane-1-sulfonamide CAS Name: 3-chloro-N-[4-[(1-cycloheptyl-6-pyrazolo[3,4-d]pyrimidinyl)amino]phenyl]-1-propanesulfonamide IUPAC Name: 3-chloro-N-[4-[(1-cycloheptylpyrazolo[3,4-d]pyrimidin-6-yl)amino]phenyl]propane-1-sulfonamide Traditional Name: 3-chloro-N-[4-[(1-cycloheptylpyrazolo[3,4-d]pyrimidin-6-yl)amino]phenyl]propane-1-sulfonamide Formula: C21H27ClN6O2S MolecularWeight: 462.99608

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)N2C3=NC(=NC=C3C=N2)NC4=CC=C(C=C4)NS(=O)(=O)CCCCl

Isomeric SMILES

C1CCCC(CC1)N2C3=NC(=NC=C3C=N2)NC4=CC=C(C=C4)NS(=O)(=O)CCCCl

InChI

InChI=1S/C21H27ClN6O2S/c22-12-5-13-31(29,30)27-18-10-8-17(9-11-18)25-21-23-14-16-15-24-28(20(16)26-21)19-6-3-1-2-4-7-19/h8-11,14-15,19,27H,1-7,12-13H2,(H,23,25,26)