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

Systemtic Name: methyl (2S)-1-methylsulfonyl-4-piperidin-4-ylcarbonyl-piperazine-2-carboxylate Openeye Name: methyl (2S)-1-methylsulfonyl-4-(piperidine-4-carbonyl)piperazine-2-carboxylate CAS Name: (2S)-1-methylsulfonyl-4-[oxo(4-piperidinyl)methyl]-2-piperazinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-methylsulfonyl-4-(piperidine-4-carbonyl)piperazine-2-carboxylate Traditional Name: (2S)-4-isonipecotoyl-1-mesyl-piperazine-2-carboxylic acid methyl ester Formula: C13H23N3O5S MolecularWeight: 333.40382

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCN1S(=O)(=O)C)C(=O)C2CCNCC2

Isomeric SMILES

COC(=O)[C@@H]1CN(CCN1S(=O)(=O)C)C(=O)C2CCNCC2

InChI

InChI=1S/C13H23N3O5S/c1-21-13(18)11-9-15(7-8-16(11)22(2,19)20)12(17)10-3-5-14-6-4-10/h10-11,14H,3-9H2,1-2H3/t11-/m0/s1