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

Systemtic Name: N-[2-[4-(azepan-1-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-ethyl-benzenesulfonamide Openeye Name: N-[2-[4-(azepan-1-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-ethyl-benzenesulfonamide CAS Name: N-[2-[4-(1-azepanyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-4-ethylbenzenesulfonamide IUPAC Name: N-[2-[4-(azepan-1-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-ethylbenzenesulfonamide Traditional Name: N-[2-[4-(azepan-1-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-ethyl-benzenesulfonamide Formula: C21H28N6O2S MolecularWeight: 428.55102

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)NCCN2C3=C(C=N2)C(=NC=N3)N4CCCCCC4

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)NCCN2C3=C(C=N2)C(=NC=N3)N4CCCCCC4

InChI

InChI=1S/C21H28N6O2S/c1-2-17-7-9-18(10-8-17)30(28,29)25-11-14-27-21-19(15-24-27)20(22-16-23-21)26-12-5-3-4-6-13-26/h7-10,15-16,25H,2-6,11-14H2,1H3