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

Systemtic Name: N-(4-methylpiperazin-1-yl)-4-propoxy-2-(7H-purin-8-yl)benzenesulfonamide Openeye Name: N-(4-methylpiperazin-1-yl)-4-propoxy-2-(7H-purin-8-yl)benzenesulfonamide CAS Name: N-(4-methyl-1-piperazinyl)-4-propoxy-2-(7H-purin-8-yl)benzenesulfonamide IUPAC Name: N-(4-methylpiperazin-1-yl)-4-propoxy-2-(7H-purin-8-yl)benzenesulfonamide Traditional Name: N-(4-methylpiperazino)-4-propoxy-2-(7H-purin-8-yl)benzenesulfonamide Formula: C19H25N7O3S MolecularWeight: 431.5119

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=C(C=C1)S(=O)(=O)NN2CCN(CC2)C)C3=NC4=NC=NC=C4N3

Isomeric SMILES

CCCOC1=CC(=C(C=C1)S(=O)(=O)NN2CCN(CC2)C)C3=NC4=NC=NC=C4N3

InChI

InChI=1S/C19H25N7O3S/c1-3-10-29-14-4-5-17(30(27,28)24-26-8-6-25(2)7-9-26)15(11-14)18-22-16-12-20-13-21-19(16)23-18/h4-5,11-13,24H,3,6-10H2,1-2H3,(H,20,21,22,23)