methyl 4-[2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-5-methyl-pyrimidin-4-yl]-1-(4-methylphenyl)sulfonyl-pyrrole-2-carboxylate

Systemtic Name: methyl 4-[2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-5-methyl-pyrimidin-4-yl]-1-(4-methylphenyl)sulfonyl-pyrrole-2-carboxylate Openeye Name: methyl 4-[2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-5-methyl-pyrimidin-4-yl]-1-(p-tolylsulfonyl)pyrrole-2-carboxylate CAS Name: 4-[2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-5-methyl-4-pyrimidinyl]-1-(4-methylphenyl)sulfonyl-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 4-[2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-5-methylpyrimidin-4-yl]-1-(4-methylphenyl)sulfonylpyrrole-2-carboxylate Traditional Name: 4-[2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-5-methyl-pyrimidin-4-yl]-1-tosyl-pyrrole-2-carboxylic acid methyl ester Formula: C26H24N4O6S MolecularWeight: 520.55696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C=C2C(=O)OC)C3=NC(=NC=C3C)NC4=C5C(=CC=C4)OCCO5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C=C2C(=O)OC)C3=NC(=NC=C3C)NC4=C5C(=CC=C4)OCCO5

InChI

InChI=1S/C26H24N4O6S/c1-16-7-9-19(10-8-16)37(32,33)30-15-18(13-21(30)25(31)34-3)23-17(2)14-27-26(29-23)28-20-5-4-6-22-24(20)36-12-11-35-22/h4-10,13-15H,11-12H2,1-3H3,(H,27,28,29)