[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 6-methylpyridine-3-carboxylate

Systemtic Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 6-methylpyridine-3-carboxylate Openeye Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl] 6-methylpyridine-3-carboxylate CAS Name: 6-methyl-3-pyridinecarboxylic acid [2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 6-methylpyridine-3-carboxylate Traditional Name: 6-methylnicotinic acid [2-keto-2-(4-mesylpiperazino)ethyl] ester Formula: C14H19N3O5S MolecularWeight: 341.38276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

CC1=NC=C(C=C1)C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C14H19N3O5S/c1-11-3-4-12(9-15-11)14(19)22-10-13(18)16-5-7-17(8-6-16)23(2,20)21/h3-4,9H,5-8,10H2,1-2H3