[2-bromanyl-3-(phenylsulfonyl)propyl] 3-methylbut-2-enoate

Systemtic Name: [2-bromanyl-3-(phenylsulfonyl)propyl] 3-methylbut-2-enoate Openeye Name: [3-(benzenesulfonyl)-2-bromo-propyl] 3-methylbut-2-enoate CAS Name: 3-methyl-2-butenoic acid [3-(benzenesulfonyl)-2-bromopropyl] ester IUPAC Name: [3-(benzenesulfonyl)-2-bromopropyl] 3-methylbut-2-enoate Traditional Name: 3-methylbut-2-enoic acid (3-besyl-2-bromo-propyl) ester Formula: C14H17BrO4S MolecularWeight: 361.25138

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)OCC(CS(=O)(=O)C1=CC=CC=C1)Br)C

Isomeric SMILES

CC(=CC(=O)OCC(CS(=O)(=O)C1=CC=CC=C1)Br)C

InChI

InChI=1S/C14H17BrO4S/c1-11(2)8-14(16)19-9-12(15)10-20(17,18)13-6-4-3-5-7-13/h3-8,12H,9-10H2,1-2H3