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

Systemtic Name: methyl 3-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]sulfonyl-4-methyl-benzoate Openeye Name: methyl 3-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]sulfonyl-4-methyl-benzoate CAS Name: 3-[[4-(5-bromo-2-pyrimidinyl)-1-piperazinyl]sulfonyl]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]sulfonyl-4-methylbenzoate Traditional Name: 3-[4-(5-bromopyrimidin-2-yl)piperazino]sulfonyl-4-methyl-benzoic acid methyl ester Formula: C17H19BrN4O4S MolecularWeight: 455.32616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)S(=O)(=O)N2CCN(CC2)C3=NC=C(C=N3)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)S(=O)(=O)N2CCN(CC2)C3=NC=C(C=N3)Br

InChI

InChI=1S/C17H19BrN4O4S/c1-12-3-4-13(16(23)26-2)9-15(12)27(24,25)22-7-5-21(6-8-22)17-19-10-14(18)11-20-17/h3-4,9-11H,5-8H2,1-2H3