N-[2-[4-(azepan-1-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-methoxy-5-methyl-benzenesulfonamide

Systemtic Name: N-[2-[4-(azepan-1-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-methoxy-5-methyl-benzenesulfonamide Openeye Name: N-[2-[4-(azepan-1-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-methoxy-5-methyl-benzenesulfonamide CAS Name: N-[2-[4-(1-azepanyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-2-methoxy-5-methylbenzenesulfonamide IUPAC Name: N-[2-[4-(azepan-1-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-methoxy-5-methylbenzenesulfonamide Traditional Name: N-[2-[4-(azepan-1-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-methoxy-5-methyl-benzenesulfonamide Formula: C21H28N6O3S MolecularWeight: 444.55042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N6O3S/c1-16-7-8-18(30-2)19(13-16)31(28,29)25-9-12-27-21-17(14-24-27)20(22-15-23-21)26-10-5-3-4-6-11-26/h7-8,13-15,25H,3-6,9-12H2,1-2H3