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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC=C1S(=O)(=O)NCCCN2CCOCC2)C3=NC4=NC=NC=C4N3

Isomeric SMILES

CCCOC1=C(C=CC=C1S(=O)(=O)NCCCN2CCOCC2)C3=NC4=NC=NC=C4N3

InChI

InChI=1S/C21H28N6O4S/c1-2-11-31-19-16(20-25-17-14-22-15-23-21(17)26-20)5-3-6-18(19)32(28,29)24-7-4-8-27-9-12-30-13-10-27/h3,5-6,14-15,24H,2,4,7-13H2,1H3,(H,22,23,25,26)