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

Systemtic Name: methyl 3-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]sulfonylbenzoate Openeye Name: methyl 3-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]sulfonylbenzoate CAS Name: 3-[[4-(4-methoxy-2-pyrimidinyl)-1-piperazinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 3-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 3-[4-(4-methoxypyrimidin-2-yl)piperazino]sulfonylbenzoic acid methyl ester Formula: C17H20N4O5S MolecularWeight: 392.4295

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O5S/c1-25-15-6-7-18-17(19-15)20-8-10-21(11-9-20)27(23,24)14-5-3-4-13(12-14)16(22)26-2/h3-7,12H,8-11H2,1-2H3