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

Systemtic Name: N-[2-[4-(azepan-1-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-methyl-benzenesulfonamide Openeye Name: N-[2-[4-(azepan-1-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-methyl-benzenesulfonamide CAS Name: N-[2-[4-(1-azepanyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-4-methylbenzenesulfonamide IUPAC Name: N-[2-[4-(azepan-1-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-methylbenzenesulfonamide Traditional Name: N-[2-[4-(azepan-1-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-methyl-benzenesulfonamide Formula: C20H26N6O2S MolecularWeight: 414.52444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCN2C3=C(C=N2)C(=NC=N3)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCN2C3=C(C=N2)C(=NC=N3)N4CCCCCC4

InChI

InChI=1S/C20H26N6O2S/c1-16-6-8-17(9-7-16)29(27,28)24-10-13-26-20-18(14-23-26)19(21-15-22-20)25-11-4-2-3-5-12-25/h6-9,14-15,24H,2-5,10-13H2,1H3