tert-butyl 4-[4-(4-methylsulfonylphenyl)-3,4-bis(oxidanyl)butyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-(4-methylsulfonylphenyl)-3,4-bis(oxidanyl)butyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[3,4-dihydroxy-4-(4-methylsulfonylphenyl)butyl]piperidine-1-carboxylate CAS Name: 4-[3,4-dihydroxy-4-(4-methylsulfonylphenyl)butyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3,4-dihydroxy-4-(4-methylsulfonylphenyl)butyl]piperidine-1-carboxylate Traditional Name: 4-[3,4-dihydroxy-4-(4-mesylphenyl)butyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H33NO6S MolecularWeight: 427.55482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CCC(C(C2=CC=C(C=C2)S(=O)(=O)C)O)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CCC(C(C2=CC=C(C=C2)S(=O)(=O)C)O)O

InChI

InChI=1S/C21H33NO6S/c1-21(2,3)28-20(25)22-13-11-15(12-14-22)5-10-18(23)19(24)16-6-8-17(9-7-16)29(4,26)27/h6-9,15,18-19,23-24H,5,10-14H2,1-4H3