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

Systemtic Name: methyl (2S)-1-methylsulfonyl-4-pyridin-3-ylcarbonyl-piperazine-2-carboxylate Openeye Name: methyl (2S)-1-methylsulfonyl-4-(pyridine-3-carbonyl)piperazine-2-carboxylate CAS Name: (2S)-1-methylsulfonyl-4-[oxo(3-pyridinyl)methyl]-2-piperazinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-methylsulfonyl-4-(pyridine-3-carbonyl)piperazine-2-carboxylate Traditional Name: (2S)-1-mesyl-4-nicotinoyl-piperazine-2-carboxylic acid methyl ester Formula: C13H17N3O5S MolecularWeight: 327.35618

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCN1S(=O)(=O)C)C(=O)C2=CN=CC=C2

Isomeric SMILES

COC(=O)[C@@H]1CN(CCN1S(=O)(=O)C)C(=O)C2=CN=CC=C2

InChI

InChI=1S/C13H17N3O5S/c1-21-13(18)11-9-15(6-7-16(11)22(2,19)20)12(17)10-4-3-5-14-8-10/h3-5,8,11H,6-7,9H2,1-2H3/t11-/m0/s1