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

Systemtic Name: methyl 4-[2-(1,3-benzodioxol-4-ylamino)-5-methyl-pyrimidin-4-yl]-1-(4-methylphenyl)sulfonyl-pyrrole-2-carboxylate Openeye Name: methyl 4-[2-(1,3-benzodioxol-4-ylamino)-5-methyl-pyrimidin-4-yl]-1-(p-tolylsulfonyl)pyrrole-2-carboxylate CAS Name: 4-[2-(1,3-benzodioxol-4-ylamino)-5-methyl-4-pyrimidinyl]-1-(4-methylphenyl)sulfonyl-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 4-[2-(1,3-benzodioxol-4-ylamino)-5-methylpyrimidin-4-yl]-1-(4-methylphenyl)sulfonylpyrrole-2-carboxylate Traditional Name: 4-[2-(1,3-benzodioxol-4-ylamino)-5-methyl-pyrimidin-4-yl]-1-tosyl-pyrrole-2-carboxylic acid methyl ester Formula: C25H22N4O6S MolecularWeight: 506.53038

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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)OCO5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C=C2C(=O)OC)C3=NC(=NC=C3C)NC4=C5C(=CC=C4)OCO5

InChI

InChI=1S/C25H22N4O6S/c1-15-7-9-18(10-8-15)36(31,32)29-13-17(11-20(29)24(30)33-3)22-16(2)12-26-25(28-22)27-19-5-4-6-21-23(19)35-14-34-21/h4-13H,14H2,1-3H3,(H,26,27,28)