N-[4-[4-azanyl-1-(4-pyrrolidin-1-ylcyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]benzenesulfonamide

Systemtic Name: N-[4-[4-azanyl-1-(4-pyrrolidin-1-ylcyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]benzenesulfonamide Openeye Name: N-[4-[4-amino-1-(4-pyrrolidin-1-ylcyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]benzenesulfonamide CAS Name: N-[4-[4-amino-1-[4-(1-pyrrolidinyl)cyclohexyl]-3-pyrazolo[3,4-d]pyrimidinyl]-2-methoxyphenyl]benzenesulfonamide IUPAC Name: N-[4-[4-amino-1-(4-pyrrolidin-1-ylcyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]benzenesulfonamide Traditional Name: N-[4-[4-amino-1-(4-pyrrolidinocyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]benzenesulfonamide Formula: C28H33N7O3S MolecularWeight: 547.67172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=NN(C3=C2C(=NC=N3)N)C4CCC(CC4)N5CCCC5)NS(=O)(=O)C6=CC=CC=C6

Isomeric SMILES

COC1=C(C=CC(=C1)C2=NN(C3=C2C(=NC=N3)N)C4CCC(CC4)N5CCCC5)NS(=O)(=O)C6=CC=CC=C6

InChI

InChI=1S/C28H33N7O3S/c1-38-24-17-19(9-14-23(24)33-39(36,37)22-7-3-2-4-8-22)26-25-27(29)30-18-31-28(25)35(32-26)21-12-10-20(11-13-21)34-15-5-6-16-34/h2-4,7-9,14,17-18,20-21,33H,5-6,10-13,15-16H2,1H3,(H2,29,30,31)