tert-butyl 4-[(1S)-1-(6-chloranylpyrazin-2-yl)-2-methylsulfonyloxy-ethyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[(1S)-1-(6-chloranylpyrazin-2-yl)-2-methylsulfonyloxy-ethyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[(1S)-1-(6-chloropyrazin-2-yl)-2-methylsulfonyloxy-ethyl]piperidine-1-carboxylate CAS Name: 4-[(1S)-1-(6-chloro-2-pyrazinyl)-2-methylsulfonyloxyethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(1S)-1-(6-chloropyrazin-2-yl)-2-methylsulfonyloxyethyl]piperidine-1-carboxylate Traditional Name: 4-[(1S)-1-(6-chloropyrazin-2-yl)-2-methylsulfonyloxy-ethyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C17H26ClN3O5S MolecularWeight: 419.92344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(COS(=O)(=O)C)C2=CN=CC(=N2)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)[C@H](COS(=O)(=O)C)C2=CN=CC(=N2)Cl

InChI

InChI=1S/C17H26ClN3O5S/c1-17(2,3)26-16(22)21-7-5-12(6-8-21)13(11-25-27(4,23)24)14-9-19-10-15(18)20-14/h9-10,12-13H,5-8,11H2,1-4H3/t13-/m0/s1