[4-[2-methyl-4-[(2,4,6-trimethylphenyl)amino]pyrimidin-5-yl]sulfonylphenyl] ethanoate

Systemtic Name: [4-[2-methyl-4-[(2,4,6-trimethylphenyl)amino]pyrimidin-5-yl]sulfonylphenyl] ethanoate Openeye Name: [4-[2-methyl-4-(2,4,6-trimethylanilino)pyrimidin-5-yl]sulfonylphenyl] acetate CAS Name: acetic acid [4-[[2-methyl-4-(2,4,6-trimethylanilino)-5-pyrimidinyl]sulfonyl]phenyl] ester IUPAC Name: [4-[2-methyl-4-(2,4,6-trimethylanilino)pyrimidin-5-yl]sulfonylphenyl] acetate Traditional Name: acetic acid [4-(4-mesidino-2-methyl-pyrimidin-5-yl)sulfonylphenyl] ester Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC2=NC(=NC=C2S(=O)(=O)C3=CC=C(C=C3)OC(=O)C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC2=NC(=NC=C2S(=O)(=O)C3=CC=C(C=C3)OC(=O)C)C)C

InChI

InChI=1S/C22H23N3O4S/c1-13-10-14(2)21(15(3)11-13)25-22-20(12-23-16(4)24-22)30(27,28)19-8-6-18(7-9-19)29-17(5)26/h6-12H,1-5H3,(H,23,24,25)