[1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 4-methyl-3-[(4-methylphenyl)sulfamoyl]benzoate

Systemtic Name: [1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 4-methyl-3-[(4-methylphenyl)sulfamoyl]benzoate Openeye Name: [1-methyl-2-oxo-2-(7H-purin-6-ylamino)ethyl] 4-methyl-3-(p-tolylsulfamoyl)benzoate CAS Name: 4-methyl-3-[(4-methylphenyl)sulfamoyl]benzoic acid [1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] 4-methyl-3-[(4-methylphenyl)sulfamoyl]benzoate Traditional Name: 4-methyl-3-(p-tolylsulfamoyl)benzoic acid [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)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)OC(C)C(=O)NC3=NC=NC4=C3NC=N4)C

Isomeric SMILES

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)OC(C)C(=O)NC3=NC=NC4=C3NC=N4)C

InChI

InChI=1S/C23H22N6O5S/c1-13-4-8-17(9-5-13)29-35(32,33)18-10-16(7-6-14(18)2)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)