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

Systemtic Name: 4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]-N-(2-methoxyethyl)benzenesulfonamide Openeye Name: 4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]-N-(2-methoxyethyl)benzenesulfonamide CAS Name: 4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]-N-(2-methoxyethyl)benzenesulfonamide IUPAC Name: 4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]-N-(2-methoxyethyl)benzenesulfonamide Traditional Name: 4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]-N-(2-methoxyethyl)benzenesulfonamide Formula: C21H28N6O4S MolecularWeight: 460.54982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N6O4S/c1-30-12-11-24-32(28,29)17-9-7-16(8-10-17)25-21-26-19-18(22-14-23-19)20(27-21)31-13-15-5-3-2-4-6-15/h7-10,14-15,24H,2-6,11-13H2,1H3,(H2,22,23,25,26,27)