methyl 5-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]sulfonylthiophene-3-carboxylate

Systemtic Name: methyl 5-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]sulfonylthiophene-3-carboxylate Openeye Name: methyl 5-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]sulfonylthiophene-3-carboxylate CAS Name: 5-[[4-(4-methoxy-2-pyrimidinyl)-1-piperazinyl]sulfonyl]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]sulfonylthiophene-3-carboxylate Traditional Name: 5-[4-(4-methoxypyrimidin-2-yl)piperazino]sulfonylthiophene-3-carboxylic acid methyl ester Formula: C15H18N4O5S2 MolecularWeight: 398.45722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC=C1)N2CCN(CC2)S(=O)(=O)C3=CC(=CS3)C(=O)OC

Isomeric SMILES

COC1=NC(=NC=C1)N2CCN(CC2)S(=O)(=O)C3=CC(=CS3)C(=O)OC

InChI

InChI=1S/C15H18N4O5S2/c1-23-12-3-4-16-15(17-12)18-5-7-19(8-6-18)26(21,22)13-9-11(10-25-13)14(20)24-2/h3-4,9-10H,5-8H2,1-2H3