methyl 3-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 3-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]sulfonylbenzoate Openeye Name: methyl 3-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]sulfonylbenzoate CAS Name: 3-[[4-(5-bromo-2-pyrimidinyl)-1-piperazinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 3-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 3-[4-(5-bromopyrimidin-2-yl)piperazino]sulfonylbenzoic acid methyl ester Formula: C16H17BrN4O4S MolecularWeight: 441.29958

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C3=NC=C(C=N3)Br

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C3=NC=C(C=N3)Br

InChI

InChI=1S/C16H17BrN4O4S/c1-25-15(22)12-3-2-4-14(9-12)26(23,24)21-7-5-20(6-8-21)16-18-10-13(17)11-19-16/h2-4,9-11H,5-8H2,1H3