N-(2-piperidin-1-ylethyl)-4-propoxy-2-(7H-purin-8-yl)benzenesulfonamide

Systemtic Name: N-(2-piperidin-1-ylethyl)-4-propoxy-2-(7H-purin-8-yl)benzenesulfonamide Openeye Name: N-[2-(1-piperidyl)ethyl]-4-propoxy-2-(7H-purin-8-yl)benzenesulfonamide CAS Name: N-[2-(1-piperidinyl)ethyl]-4-propoxy-2-(7H-purin-8-yl)benzenesulfonamide IUPAC Name: N-(2-piperidin-1-ylethyl)-4-propoxy-2-(7H-purin-8-yl)benzenesulfonamide Traditional Name: N-(2-piperidinoethyl)-4-propoxy-2-(7H-purin-8-yl)benzenesulfonamide Formula: C21H28N6O3S MolecularWeight: 444.55042

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=C(C=C1)S(=O)(=O)NCCN2CCCCC2)C3=NC4=NC=NC=C4N3

Isomeric SMILES

CCCOC1=CC(=C(C=C1)S(=O)(=O)NCCN2CCCCC2)C3=NC4=NC=NC=C4N3

InChI

InChI=1S/C21H28N6O3S/c1-2-12-30-16-6-7-19(31(28,29)24-8-11-27-9-4-3-5-10-27)17(13-16)20-25-18-14-22-15-23-21(18)26-20/h6-7,13-15,24H,2-5,8-12H2,1H3,(H,22,23,25,26)