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

Systemtic Name: tert-butyl 4-[4-(4-methylsulfonylphenyl)-4-oxidanylidene-butyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-(4-methylsulfonylphenyl)-4-oxo-butyl]piperidine-1-carboxylate CAS Name: 4-[4-(4-methylsulfonylphenyl)-4-oxobutyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(4-methylsulfonylphenyl)-4-oxobutyl]piperidine-1-carboxylate Traditional Name: 4-[4-keto-4-(4-mesylphenyl)butyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H31NO5S MolecularWeight: 409.53954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31NO5S/c1-21(2,3)27-20(24)22-14-12-16(13-15-22)6-5-7-19(23)17-8-10-18(11-9-17)28(4,25)26/h8-11,16H,5-7,12-15H2,1-4H3