tert-butyl 4-[(2-methylsulfonylphenyl)methylsulfinyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[(2-methylsulfonylphenyl)methylsulfinyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[(2-methylsulfonylphenyl)methylsulfinyl]piperidine-1-carboxylate CAS Name: 4-[(2-methylsulfonylphenyl)methylsulfinyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(2-methylsulfonylphenyl)methylsulfinyl]piperidine-1-carboxylate Traditional Name: 4-(2-mesylbenzyl)sulfinylpiperidine-1-carboxylic acid tert-butyl ester Formula: C18H27NO5S2 MolecularWeight: 401.54068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)S(=O)CC2=CC=CC=C2S(=O)(=O)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)S(=O)CC2=CC=CC=C2S(=O)(=O)C

InChI

InChI=1S/C18H27NO5S2/c1-18(2,3)24-17(20)19-11-9-15(10-12-19)25(21)13-14-7-5-6-8-16(14)26(4,22)23/h5-8,15H,9-13H2,1-4H3