[(2R)-1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 2-[(2,5-dimethylphenyl)sulfonylamino]benzoate

Systemtic Name: [(2R)-1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 2-[(2,5-dimethylphenyl)sulfonylamino]benzoate Openeye Name: [(1R)-1-methyl-2-oxo-2-(7H-purin-6-ylamino)ethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]benzoate CAS Name: 2-[(2,5-dimethylphenyl)sulfonylamino]benzoic acid [(2R)-1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] 2-[(2,5-dimethylphenyl)sulfonylamino]benzoate Traditional Name: 2-[(2,5-dimethylphenyl)sulfonylamino]benzoic acid [(1R)-2-keto-1-methyl-2-(7H-purin-6-ylamino)ethyl] ester Formula: C23H22N6O5S MolecularWeight: 494.52298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=CC=CC=C2C(=O)OC(C)C(=O)NC3=NC=NC4=C3NC=N4

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=CC=CC=C2C(=O)O[C@H](C)C(=O)NC3=NC=NC4=C3NC=N4

InChI

InChI=1S/C23H22N6O5S/c1-13-8-9-14(2)18(10-13)35(32,33)29-17-7-5-4-6-16(17)23(31)34-15(3)22(30)28-21-19-20(25-11-24-19)26-12-27-21/h4-12,15,29H,1-3H3,(H2,24,25,26,27,28,30)/t15-/m1/s1