tert-butyl (E)-5-[[(2S,3S)-1-bromanyl-3-methyl-pentan-2-yl]-(4-methylphenyl)sulfonyl-amino]pent-2-enoate

Systemtic Name: tert-butyl (E)-5-[[(2S,3S)-1-bromanyl-3-methyl-pentan-2-yl]-(4-methylphenyl)sulfonyl-amino]pent-2-enoate Openeye Name: tert-butyl (E)-5-[[(1S,2S)-1-(bromomethyl)-2-methyl-butyl]-(p-tolylsulfonyl)amino]pent-2-enoate CAS Name: (E)-5-[[(2S,3S)-1-bromo-3-methylpentan-2-yl]-(4-methylphenyl)sulfonylamino]-2-pentenoic acid tert-butyl ester IUPAC Name: tert-butyl (E)-5-[[(2S,3S)-1-bromo-3-methylpentan-2-yl]-(4-methylphenyl)sulfonylamino]pent-2-enoate Traditional Name: (E)-5-[[(1S,2S)-1-(bromomethyl)-2-methyl-butyl]-tosyl-amino]pent-2-enoic acid tert-butyl ester Formula: C22H34BrNO4S MolecularWeight: 488.47866

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(CBr)N(CCC=CC(=O)OC(C)(C)C)S(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CC[C@H](C)[C@@H](CBr)N(CC/C=C/C(=O)OC(C)(C)C)S(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C22H34BrNO4S/c1-7-18(3)20(16-23)24(15-9-8-10-21(25)28-22(4,5)6)29(26,27)19-13-11-17(2)12-14-19/h8,10-14,18,20H,7,9,15-16H2,1-6H3/b10-8+/t18-,20+/m0/s1