N-[1-[[3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl]piperidin-4-yl]benzenesulfonamide

Systemtic Name: N-[1-[[3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl]piperidin-4-yl]benzenesulfonamide Openeye Name: N-[1-[(3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methyl]-4-piperidyl]benzenesulfonamide CAS Name: N-[1-[(3-butyl-7-ethyl-2,6-dioxo-8-purinyl)methyl]-4-piperidinyl]benzenesulfonamide IUPAC Name: N-[1-[(3-butyl-7-ethyl-2,6-dioxopurin-8-yl)methyl]piperidin-4-yl]benzenesulfonamide Traditional Name: N-[1-[(3-butyl-7-ethyl-2,6-diketo-purin-8-yl)methyl]-4-piperidyl]benzenesulfonamide Formula: C23H32N6O4S MolecularWeight: 488.60298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CN3CCC(CC3)NS(=O)(=O)C4=CC=CC=C4)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CN3CCC(CC3)NS(=O)(=O)C4=CC=CC=C4)CC

InChI

InChI=1S/C23H32N6O4S/c1-3-5-13-29-21-20(22(30)25-23(29)31)28(4-2)19(24-21)16-27-14-11-17(12-15-27)26-34(32,33)18-9-7-6-8-10-18/h6-10,17,26H,3-5,11-16H2,1-2H3,(H,25,30,31)