methyl 4-(phenylsulfonyl)-1-pyridin-3-ylcarbonyl-piperazine-2-carboxylate

Systemtic Name: methyl 4-(phenylsulfonyl)-1-pyridin-3-ylcarbonyl-piperazine-2-carboxylate Openeye Name: methyl 4-(benzenesulfonyl)-1-(pyridine-3-carbonyl)piperazine-2-carboxylate CAS Name: 4-(benzenesulfonyl)-1-[oxo(3-pyridinyl)methyl]-2-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-(benzenesulfonyl)-1-(pyridine-3-carbonyl)piperazine-2-carboxylate Traditional Name: 4-besyl-1-nicotinoyl-piperazine-2-carboxylic acid methyl ester Formula: C18H19N3O5S MolecularWeight: 389.42556

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCN1C(=O)C2=CN=CC=C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1CN(CCN1C(=O)C2=CN=CC=C2)S(=O)(=O)C3=CC=CC=C3

InChI

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