methyl (2S)-4-cyclopentylcarbonyl-1-(phenylsulfonyl)piperazine-2-carboxylate

Systemtic Name: methyl (2S)-4-cyclopentylcarbonyl-1-(phenylsulfonyl)piperazine-2-carboxylate Openeye Name: methyl (2S)-1-(benzenesulfonyl)-4-(cyclopentanecarbonyl)piperazine-2-carboxylate CAS Name: (2S)-1-(benzenesulfonyl)-4-[cyclopentyl(oxo)methyl]-2-piperazinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-(benzenesulfonyl)-4-(cyclopentanecarbonyl)piperazine-2-carboxylate Traditional Name: (2S)-1-besyl-4-(cyclopentanecarbonyl)piperazine-2-carboxylic acid methyl ester Formula: C18H24N2O5S MolecularWeight: 380.45856

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCN1S(=O)(=O)C2=CC=CC=C2)C(=O)C3CCCC3

Isomeric SMILES

COC(=O)[C@@H]1CN(CCN1S(=O)(=O)C2=CC=CC=C2)C(=O)C3CCCC3

InChI

InChI=1S/C18H24N2O5S/c1-25-18(22)16-13-19(17(21)14-7-5-6-8-14)11-12-20(16)26(23,24)15-9-3-2-4-10-15/h2-4,9-10,14,16H,5-8,11-13H2,1H3/t16-/m0/s1