[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 2-chloranylpyridine-3-carboxylate

Systemtic Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 2-chloranylpyridine-3-carboxylate Openeye Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl] 2-chloropyridine-3-carboxylate CAS Name: 2-chloro-3-pyridinecarboxylic acid [2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 2-chloropyridine-3-carboxylate Traditional Name: 2-chloronicotinic acid [2-keto-2-(4-mesylpiperazino)ethyl] ester Formula: C13H16ClN3O5S MolecularWeight: 361.80124

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=O)COC(=O)C2=C(N=CC=C2)Cl

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=O)COC(=O)C2=C(N=CC=C2)Cl

InChI

InChI=1S/C13H16ClN3O5S/c1-23(20,21)17-7-5-16(6-8-17)11(18)9-22-13(19)10-3-2-4-15-12(10)14/h2-4H,5-9H2,1H3