4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]-N-(2-methylpropyl)benzenesulfonamide

Systemtic Name: 4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]-N-(2-methylpropyl)benzenesulfonamide Openeye Name: 4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]-N-isobutyl-benzenesulfonamide CAS Name: 4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]-N-(2-methylpropyl)benzenesulfonamide IUPAC Name: 4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]-N-(2-methylpropyl)benzenesulfonamide Traditional Name: 4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]-N-isobutyl-benzenesulfonamide Formula: C22H30N6O3S MolecularWeight: 458.577

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNS(=O)(=O)C1=CC=C(C=C1)NC2=NC3=C(C(=N2)OCC4CCCCC4)NC=N3

Isomeric SMILES

CC(C)CNS(=O)(=O)C1=CC=C(C=C1)NC2=NC3=C(C(=N2)OCC4CCCCC4)NC=N3

InChI

InChI=1S/C22H30N6O3S/c1-15(2)12-25-32(29,30)18-10-8-17(9-11-18)26-22-27-20-19(23-14-24-20)21(28-22)31-13-16-6-4-3-5-7-16/h8-11,14-16,25H,3-7,12-13H2,1-2H3,(H2,23,24,26,27,28)