tert-butyl 4-[4-(4-methylsulfonylphenyl)butyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-(4-methylsulfonylphenyl)butyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-(4-methylsulfonylphenyl)butyl]piperidine-1-carboxylate CAS Name: 4-[4-(4-methylsulfonylphenyl)butyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(4-methylsulfonylphenyl)butyl]piperidine-1-carboxylate Traditional Name: 4-[4-(4-mesylphenyl)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)CCCCC2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CCCCC2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C21H33NO4S/c1-21(2,3)26-20(23)22-15-13-18(14-16-22)8-6-5-7-17-9-11-19(12-10-17)27(4,24)25/h9-12,18H,5-8,13-16H2,1-4H3