[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-chloranyl-5-methylsulfonyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-chloranyl-5-methylsulfonyl-benzoate Openeye Name: [2-oxo-2-[4-(2-pyridyl)piperazin-1-yl]ethyl] 2-chloro-5-methylsulfonyl-benzoate CAS Name: 2-chloro-5-methylsulfonylbenzoic acid [2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-chloro-5-methylsulfonylbenzoate Traditional Name: 2-chloro-5-mesyl-benzoic acid [2-keto-2-[4-(2-pyridyl)piperazino]ethyl] ester Formula: C19H20ClN3O5S MolecularWeight: 437.8972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN3O5S/c1-29(26,27)14-5-6-16(20)15(12-14)19(25)28-13-18(24)23-10-8-22(9-11-23)17-4-2-3-7-21-17/h2-7,12H,8-11,13H2,1H3