tert-butyl 2-[(6-chloranylpurin-9-yl)oxymethyl]-4-(4-methylphenyl)sulfonyloxy-pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[(6-chloranylpurin-9-yl)oxymethyl]-4-(4-methylphenyl)sulfonyloxy-pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[(6-chloropurin-9-yl)oxymethyl]-4-(p-tolylsulfonyloxy)pyrrolidine-1-carboxylate CAS Name: 2-[(6-chloro-9-purinyl)oxymethyl]-4-(4-methylphenyl)sulfonyloxy-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(6-chloropurin-9-yl)oxymethyl]-4-(4-methylphenyl)sulfonyloxypyrrolidine-1-carboxylate Traditional Name: 2-[(6-chloropurin-9-yl)oxymethyl]-4-tosyloxy-pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C22H26ClN5O6S MolecularWeight: 523.98974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CC(N(C2)C(=O)OC(C)(C)C)CON3C=NC4=C3N=CN=C4Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2CC(N(C2)C(=O)OC(C)(C)C)CON3C=NC4=C3N=CN=C4Cl

InChI

InChI=1S/C22H26ClN5O6S/c1-14-5-7-17(8-6-14)35(30,31)34-16-9-15(27(10-16)21(29)33-22(2,3)4)11-32-28-13-26-18-19(23)24-12-25-20(18)28/h5-8,12-13,15-16H,9-11H2,1-4H3