[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 3-(methylsulfonylmethyl)benzoate

Systemtic Name: [2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 3-(methylsulfonylmethyl)benzoate Openeye Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 3-(methylsulfonylmethyl)benzoate CAS Name: 3-(methylsulfonylmethyl)benzoic acid [2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 3-(methylsulfonylmethyl)benzoate Traditional Name: 3-(mesylmethyl)benzoic acid [2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl] ester Formula: C19H22N4O5S MolecularWeight: 418.46678

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC1=CC=CC(=C1)C(=O)OCC(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CS(=O)(=O)CC1=CC=CC(=C1)C(=O)OCC(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C19H22N4O5S/c1-29(26,27)14-15-4-2-5-16(12-15)18(25)28-13-17(24)22-8-10-23(11-9-22)19-20-6-3-7-21-19/h2-7,12H,8-11,13-14H2,1H3