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

Systemtic Name: tert-butyl 2-[2-acetyloxy-3-(phenylsulfonyl)but-3-enyl]piperidine-1-carboxylate Openeye Name: tert-butyl 2-[2-acetoxy-3-(benzenesulfonyl)but-3-enyl]piperidine-1-carboxylate CAS Name: 2-[2-acetyloxy-3-(benzenesulfonyl)but-3-enyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-acetyloxy-3-(benzenesulfonyl)but-3-enyl]piperidine-1-carboxylate Traditional Name: 2-(2-acetoxy-3-besyl-but-3-enyl)piperidine-1-carboxylic acid tert-butyl ester Formula: C22H31NO6S MolecularWeight: 437.54964

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CC1CCCCN1C(=O)OC(C)(C)C)C(=C)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(=O)OC(CC1CCCCN1C(=O)OC(C)(C)C)C(=C)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H31NO6S/c1-16(30(26,27)19-12-7-6-8-13-19)20(28-17(2)24)15-18-11-9-10-14-23(18)21(25)29-22(3,4)5/h6-8,12-13,18,20H,1,9-11,14-15H2,2-5H3