methyl 4-[2-[(2-ethylphenyl)amino]-5-methyl-pyrimidin-4-yl]-1-(4-methylphenyl)sulfonyl-pyrrole-2-carboxylate

Systemtic Name: methyl 4-[2-[(2-ethylphenyl)amino]-5-methyl-pyrimidin-4-yl]-1-(4-methylphenyl)sulfonyl-pyrrole-2-carboxylate Openeye Name: methyl 4-[2-(2-ethylanilino)-5-methyl-pyrimidin-4-yl]-1-(p-tolylsulfonyl)pyrrole-2-carboxylate CAS Name: 4-[2-(2-ethylanilino)-5-methyl-4-pyrimidinyl]-1-(4-methylphenyl)sulfonyl-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 4-[2-(2-ethylanilino)-5-methylpyrimidin-4-yl]-1-(4-methylphenyl)sulfonylpyrrole-2-carboxylate Traditional Name: 4-[2-(2-ethylanilino)-5-methyl-pyrimidin-4-yl]-1-tosyl-pyrrole-2-carboxylic acid methyl ester Formula: C26H26N4O4S MolecularWeight: 490.57404

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=NC=C(C(=N2)C3=CN(C(=C3)C(=O)OC)S(=O)(=O)C4=CC=C(C=C4)C)C

Isomeric SMILES

CCC1=CC=CC=C1NC2=NC=C(C(=N2)C3=CN(C(=C3)C(=O)OC)S(=O)(=O)C4=CC=C(C=C4)C)C

InChI

InChI=1S/C26H26N4O4S/c1-5-19-8-6-7-9-22(19)28-26-27-15-18(3)24(29-26)20-14-23(25(31)34-4)30(16-20)35(32,33)21-12-10-17(2)11-13-21/h6-16H,5H2,1-4H3,(H,27,28,29)