tert-butyl 2-[2-oxidanyl-3-(phenylsulfonyl)but-3-enyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 2-[2-oxidanyl-3-(phenylsulfonyl)but-3-enyl]piperidine-1-carboxylate Openeye Name: tert-butyl 2-[3-(benzenesulfonyl)-2-hydroxy-but-3-enyl]piperidine-1-carboxylate CAS Name: 2-[3-(benzenesulfonyl)-2-hydroxybut-3-enyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-(benzenesulfonyl)-2-hydroxybut-3-enyl]piperidine-1-carboxylate Traditional Name: 2-(3-besyl-2-hydroxy-but-3-enyl)piperidine-1-carboxylic acid tert-butyl ester Formula: C20H29NO5S MolecularWeight: 395.51296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCCC1CC(C(=C)S(=O)(=O)C2=CC=CC=C2)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCCC1CC(C(=C)S(=O)(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C20H29NO5S/c1-15(27(24,25)17-11-6-5-7-12-17)18(22)14-16-10-8-9-13-21(16)19(23)26-20(2,3)4/h5-7,11-12,16,18,22H,1,8-10,13-14H2,2-4H3