N-(3-morpholin-4-ylpropyl)-4-propoxy-2-(7H-purin-8-yl)benzenesulfonamide

Systemtic Name: N-(3-morpholin-4-ylpropyl)-4-propoxy-2-(7H-purin-8-yl)benzenesulfonamide Openeye Name: N-(3-morpholinopropyl)-4-propoxy-2-(7H-purin-8-yl)benzenesulfonamide CAS Name: N-[3-(4-morpholinyl)propyl]-4-propoxy-2-(7H-purin-8-yl)benzenesulfonamide IUPAC Name: N-(3-morpholin-4-ylpropyl)-4-propoxy-2-(7H-purin-8-yl)benzenesulfonamide Traditional Name: N-(3-morpholinopropyl)-4-propoxy-2-(7H-purin-8-yl)benzenesulfonamide Formula: C21H28N6O4S MolecularWeight: 460.54982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=C(C=C1)S(=O)(=O)NCCCN2CCOCC2)C3=NC4=NC=NC=C4N3

Isomeric SMILES

CCCOC1=CC(=C(C=C1)S(=O)(=O)NCCCN2CCOCC2)C3=NC4=NC=NC=C4N3

InChI

InChI=1S/C21H28N6O4S/c1-2-10-31-16-4-5-19(17(13-16)20-25-18-14-22-15-23-21(18)26-20)32(28,29)24-6-3-7-27-8-11-30-12-9-27/h4-5,13-15,24H,2-3,6-12H2,1H3,(H,22,23,25,26)