tert-butyl 4-[4-(4-methylsulfinylphenyl)-1-oxidanyl-butyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-(4-methylsulfinylphenyl)-1-oxidanyl-butyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[1-hydroxy-4-(4-methylsulfinylphenyl)butyl]piperidine-1-carboxylate CAS Name: 4-[1-hydroxy-4-(4-methylsulfinylphenyl)butyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-hydroxy-4-(4-methylsulfinylphenyl)butyl]piperidine-1-carboxylate Traditional Name: 4-[1-hydroxy-4-(4-methylsulfinylphenyl)butyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H33NO4S MolecularWeight: 395.55602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(CCCC2=CC=C(C=C2)S(=O)C)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(CCCC2=CC=C(C=C2)S(=O)C)O

InChI

InChI=1S/C21H33NO4S/c1-21(2,3)26-20(24)22-14-12-17(13-15-22)19(23)7-5-6-16-8-10-18(11-9-16)27(4)25/h8-11,17,19,23H,5-7,12-15H2,1-4H3