ethyl 4-[(4-tert-butylphenyl)sulfonylamino]-2-chloranyl-5-phenoxy-2H-pyrimidine-1-carboxylate

Systemtic Name: ethyl 4-[(4-tert-butylphenyl)sulfonylamino]-2-chloranyl-5-phenoxy-2H-pyrimidine-1-carboxylate Openeye Name: ethyl 4-[(4-tert-butylphenyl)sulfonylamino]-2-chloro-5-phenoxy-2H-pyrimidine-1-carboxylate CAS Name: 4-[(4-tert-butylphenyl)sulfonylamino]-2-chloro-5-phenoxy-2H-pyrimidine-1-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-tert-butylphenyl)sulfonylamino]-2-chloro-5-phenoxy-2H-pyrimidine-1-carboxylate Traditional Name: 4-[(4-tert-butylphenyl)sulfonylamino]-2-chloro-5-phenoxy-2H-pyrimidine-1-carboxylic acid ethyl ester Formula: C23H26ClN3O5S MolecularWeight: 491.98764

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C=C(C(=NC1Cl)NS(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)OC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1C=C(C(=NC1Cl)NS(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)OC3=CC=CC=C3

InChI

InChI=1S/C23H26ClN3O5S/c1-5-31-22(28)27-15-19(32-17-9-7-6-8-10-17)20(25-21(27)24)26-33(29,30)18-13-11-16(12-14-18)23(2,3)4/h6-15,21H,5H2,1-4H3,(H,25,26)