4-methoxy-N-[2-(4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]benzenesulfonamide

Systemtic Name: 4-methoxy-N-[2-(4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]benzenesulfonamide Openeye Name: 4-methoxy-N-[2-(4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]benzenesulfonamide CAS Name: 4-methoxy-N-[2-[4-(1-pyrrolidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]benzenesulfonamide IUPAC Name: 4-methoxy-N-[2-(4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]benzenesulfonamide Traditional Name: 4-methoxy-N-[2-(4-pyrrolidinopyrazolo[3,4-d]pyrimidin-1-yl)ethyl]benzenesulfonamide Formula: C18H22N6O3S MolecularWeight: 402.47068

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NCCN2C3=C(C=N2)C(=NC=N3)N4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)NCCN2C3=C(C=N2)C(=NC=N3)N4CCCC4

InChI

InChI=1S/C18H22N6O3S/c1-27-14-4-6-15(7-5-14)28(25,26)22-8-11-24-18-16(12-21-24)17(19-13-20-18)23-9-2-3-10-23/h4-7,12-13,22H,2-3,8-11H2,1H3