N-[2-(6-chloranylpurin-9-yl)-2-methoxy-ethyl]-N-[2-(hydroxymethyl)phenyl]-2-nitro-benzenesulfonamide

Systemtic Name: N-[2-(6-chloranylpurin-9-yl)-2-methoxy-ethyl]-N-[2-(hydroxymethyl)phenyl]-2-nitro-benzenesulfonamide Openeye Name: N-[2-(6-chloropurin-9-yl)-2-methoxy-ethyl]-N-[2-(hydroxymethyl)phenyl]-2-nitro-benzenesulfonamide CAS Name: N-[2-(6-chloro-9-purinyl)-2-methoxyethyl]-N-[2-(hydroxymethyl)phenyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[2-(6-chloropurin-9-yl)-2-methoxyethyl]-N-[2-(hydroxymethyl)phenyl]-2-nitrobenzenesulfonamide Traditional Name: N-[2-(6-chloropurin-9-yl)-2-methoxy-ethyl]-N-(2-methylolphenyl)-2-nitro-benzenesulfonamide Formula: C21H19ClN6O6S MolecularWeight: 518.93016

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Descriptors Computed from Structure

Canonical SMILES:

COC(CN(C1=CC=CC=C1CO)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])N3C=NC4=C3N=CN=C4Cl

Isomeric SMILES

COC(CN(C1=CC=CC=C1CO)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])N3C=NC4=C3N=CN=C4Cl

InChI

InChI=1S/C21H19ClN6O6S/c1-34-18(26-13-25-19-20(22)23-12-24-21(19)26)10-27(15-7-3-2-6-14(15)11-29)35(32,33)17-9-5-4-8-16(17)28(30)31/h2-9,12-13,18,29H,10-11H2,1H3