methyl 6-[4-(phenylsulfonyl)piperazin-1-yl]carbonylpyridine-2-carboxylate

Systemtic Name: methyl 6-[4-(phenylsulfonyl)piperazin-1-yl]carbonylpyridine-2-carboxylate Openeye Name: methyl 6-[4-(benzenesulfonyl)piperazine-1-carbonyl]pyridine-2-carboxylate CAS Name: 6-[[4-(benzenesulfonyl)-1-piperazinyl]-oxomethyl]-2-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[4-(benzenesulfonyl)piperazine-1-carbonyl]pyridine-2-carboxylate Traditional Name: 6-(4-besylpiperazine-1-carbonyl)picolinic acid methyl ester Formula: C18H19N3O5S MolecularWeight: 389.42556

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=N1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=CC(=N1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H19N3O5S/c1-26-18(23)16-9-5-8-15(19-16)17(22)20-10-12-21(13-11-20)27(24,25)14-6-3-2-4-7-14/h2-9H,10-13H2,1H3