ethyl 2-[2-[(2-chloranyl-9-cyclopentyl-purin-6-yl)amino]ethylsulfamoyl]benzoate

Systemtic Name: ethyl 2-[2-[(2-chloranyl-9-cyclopentyl-purin-6-yl)amino]ethylsulfamoyl]benzoate Openeye Name: ethyl 2-[2-[(2-chloro-9-cyclopentyl-purin-6-yl)amino]ethylsulfamoyl]benzoate CAS Name: 2-[2-[(2-chloro-9-cyclopentyl-6-purinyl)amino]ethylsulfamoyl]benzoic acid ethyl ester IUPAC Name: ethyl 2-[2-[(2-chloro-9-cyclopentylpurin-6-yl)amino]ethylsulfamoyl]benzoate Traditional Name: 2-[2-[(2-chloro-9-cyclopentyl-purin-6-yl)amino]ethylsulfamoyl]benzoic acid ethyl ester Formula: C21H25ClN6O4S MolecularWeight: 492.979

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1S(=O)(=O)NCCNC2=NC(=NC3=C2N=CN3C4CCCC4)Cl

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1S(=O)(=O)NCCNC2=NC(=NC3=C2N=CN3C4CCCC4)Cl

InChI

InChI=1S/C21H25ClN6O4S/c1-2-32-20(29)15-9-5-6-10-16(15)33(30,31)25-12-11-23-18-17-19(27-21(22)26-18)28(13-24-17)14-7-3-4-8-14/h5-6,9-10,13-14,25H,2-4,7-8,11-12H2,1H3,(H,23,26,27)