4-methyl-N-[6-oxidanyl-5-(6-oxidanylidene-3H-purin-9-yl)hexyl]benzenesulfonamide

Systemtic Name: 4-methyl-N-[6-oxidanyl-5-(6-oxidanylidene-3H-purin-9-yl)hexyl]benzenesulfonamide Openeye Name: N-[6-hydroxy-5-(6-oxo-3H-purin-9-yl)hexyl]-4-methyl-benzenesulfonamide CAS Name: N-[6-hydroxy-5-(6-oxo-3H-purin-9-yl)hexyl]-4-methylbenzenesulfonamide IUPAC Name: N-[6-hydroxy-5-(6-oxo-3H-purin-9-yl)hexyl]-4-methylbenzenesulfonamide Traditional Name: N-[6-hydroxy-5-(6-keto-3H-purin-9-yl)hexyl]-4-methyl-benzenesulfonamide Formula: C18H23N5O4S MolecularWeight: 405.47132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCCCC(CO)N2C=NC3=C2NC=NC3=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCCCC(CO)N2C=NC3=C2NC=NC3=O

InChI

InChI=1S/C18H23N5O4S/c1-13-5-7-15(8-6-13)28(26,27)22-9-3-2-4-14(10-24)23-12-21-16-17(23)19-11-20-18(16)25/h5-8,11-12,14,22,24H,2-4,9-10H2,1H3,(H,19,20,25)