N,N-bis(2-hydroxyethyl)-4-propoxy-2-(7H-purin-8-yl)benzenesulfonamide

Systemtic Name: N,N-bis(2-hydroxyethyl)-4-propoxy-2-(7H-purin-8-yl)benzenesulfonamide Openeye Name: N,N-bis(2-hydroxyethyl)-4-propoxy-2-(7H-purin-8-yl)benzenesulfonamide CAS Name: N,N-bis(2-hydroxyethyl)-4-propoxy-2-(7H-purin-8-yl)benzenesulfonamide IUPAC Name: N,N-bis(2-hydroxyethyl)-4-propoxy-2-(7H-purin-8-yl)benzenesulfonamide Traditional Name: N,N-bis(2-hydroxyethyl)-4-propoxy-2-(7H-purin-8-yl)benzenesulfonamide Formula: C18H23N5O5S MolecularWeight: 421.47072

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=C(C=C1)S(=O)(=O)N(CCO)CCO)C2=NC3=NC=NC=C3N2

Isomeric SMILES

CCCOC1=CC(=C(C=C1)S(=O)(=O)N(CCO)CCO)C2=NC3=NC=NC=C3N2

InChI

InChI=1S/C18H23N5O5S/c1-2-9-28-13-3-4-16(29(26,27)23(5-7-24)6-8-25)14(10-13)17-21-15-11-19-12-20-18(15)22-17/h3-4,10-12,24-25H,2,5-9H2,1H3,(H,19,20,21,22)