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

Systemtic Name: N-[2-[4-(azepan-1-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]benzenesulfonamide Openeye Name: N-[2-[4-(azepan-1-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]benzenesulfonamide CAS Name: N-[2-[4-(1-azepanyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]benzenesulfonamide IUPAC Name: N-[2-[4-(azepan-1-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]benzenesulfonamide Traditional Name: N-[2-[4-(azepan-1-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]benzenesulfonamide Formula: C19H24N6O2S MolecularWeight: 400.49786

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC=NC3=C2C=NN3CCNS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C2=NC=NC3=C2C=NN3CCNS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C19H24N6O2S/c26-28(27,16-8-4-3-5-9-16)23-10-13-25-19-17(14-22-25)18(20-15-21-19)24-11-6-1-2-7-12-24/h3-5,8-9,14-15,23H,1-2,6-7,10-13H2