[4-acetyloxy-5-(6-benzamidopurin-9-yl)-3-(4-methylphenyl)sulfonyloxy-oxolan-2-yl]methyl benzoate

Systemtic Name: [4-acetyloxy-5-(6-benzamidopurin-9-yl)-3-(4-methylphenyl)sulfonyloxy-oxolan-2-yl]methyl benzoate Openeye Name: [4-acetoxy-5-(6-benzamidopurin-9-yl)-3-(p-tolylsulfonyloxy)tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [4-acetyloxy-5-(6-benzamido-9-purinyl)-3-(4-methylphenyl)sulfonyloxy-2-oxolanyl]methyl ester IUPAC Name: [4-acetyloxy-5-(6-benzamidopurin-9-yl)-3-(4-methylphenyl)sulfonyloxyoxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [4-acetoxy-5-(6-benzamidopurin-9-yl)-3-tosyloxy-tetrahydrofuran-2-yl]methyl ester Formula: C33H29N5O9S MolecularWeight: 671.67646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2C(OC(C2OC(=O)C)N3C=NC4=C3N=CN=C4NC(=O)C5=CC=CC=C5)COC(=O)C6=CC=CC=C6

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2C(OC(C2OC(=O)C)N3C=NC4=C3N=CN=C4NC(=O)C5=CC=CC=C5)COC(=O)C6=CC=CC=C6

InChI

InChI=1S/C33H29N5O9S/c1-20-13-15-24(16-14-20)48(42,43)47-27-25(17-44-33(41)23-11-7-4-8-12-23)46-32(28(27)45-21(2)39)38-19-36-26-29(34-18-35-30(26)38)37-31(40)22-9-5-3-6-10-22/h3-16,18-19,25,27-28,32H,17H2,1-2H3,(H,34,35,37,40)