4-propoxy-2-(7H-purin-8-yl)-N-(2-pyridin-2-ylethyl)benzenesulfonamide

Systemtic Name: 4-propoxy-2-(7H-purin-8-yl)-N-(2-pyridin-2-ylethyl)benzenesulfonamide Openeye Name: 4-propoxy-2-(7H-purin-8-yl)-N-[2-(2-pyridyl)ethyl]benzenesulfonamide CAS Name: 4-propoxy-2-(7H-purin-8-yl)-N-[2-(2-pyridinyl)ethyl]benzenesulfonamide IUPAC Name: 4-propoxy-2-(7H-purin-8-yl)-N-(2-pyridin-2-ylethyl)benzenesulfonamide Traditional Name: 4-propoxy-2-(7H-purin-8-yl)-N-[2-(2-pyridyl)ethyl]benzenesulfonamide Formula: C21H22N6O3S MolecularWeight: 438.50278

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=C(C=C1)S(=O)(=O)NCCC2=CC=CC=N2)C3=NC4=NC=NC=C4N3

Isomeric SMILES

CCCOC1=CC(=C(C=C1)S(=O)(=O)NCCC2=CC=CC=N2)C3=NC4=NC=NC=C4N3

InChI

InChI=1S/C21H22N6O3S/c1-2-11-30-16-6-7-19(31(28,29)25-10-8-15-5-3-4-9-23-15)17(12-16)20-26-18-13-22-14-24-21(18)27-20/h3-7,9,12-14,25H,2,8,10-11H2,1H3,(H,22,24,26,27)