methyl 4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: methyl 4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylbenzoate Openeye Name: methyl 4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylbenzoate CAS Name: 4-[[4-(2-pyrimidinyl)-1-piperazinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 4-[4-(2-pyrimidyl)piperazino]sulfonylbenzoic acid methyl ester Formula: C16H18N4O4S MolecularWeight: 362.40352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O4S/c1-24-15(21)13-3-5-14(6-4-13)25(22,23)20-11-9-19(10-12-20)16-17-7-2-8-18-16/h2-8H,9-12H2,1H3