ethyl 4-[(4-ethoxyphenyl)-(4-methylphenyl)sulfonyl-amino]-6-methyl-2-phenyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[(4-ethoxyphenyl)-(4-methylphenyl)sulfonyl-amino]-6-methyl-2-phenyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[4-ethoxy-N-(p-tolylsulfonyl)anilino]-6-methyl-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-6-methyl-2-phenyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-6-methyl-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-(4-ethoxy-N-tosyl-anilino)-6-methyl-2-phenyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C29H29N3O5S MolecularWeight: 531.62266

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(C2=NC(=NC(=C2C(=O)OCC)C)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N(C2=NC(=NC(=C2C(=O)OCC)C)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C29H29N3O5S/c1-5-36-24-16-14-23(15-17-24)32(38(34,35)25-18-12-20(3)13-19-25)28-26(29(33)37-6-2)21(4)30-27(31-28)22-10-8-7-9-11-22/h7-19H,5-6H2,1-4H3