[(2R)-2-[(4-bromophenyl)sulfonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]but-3-enyl] ethanoate

Systemtic Name: [(2R)-2-[(4-bromophenyl)sulfonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]but-3-enyl] ethanoate Openeye Name: [(2R)-2-[(4-bromophenyl)sulfonyl-tert-butoxycarbonyl-amino]but-3-enyl] acetate CAS Name: acetic acid [(2R)-2-[(4-bromophenyl)sulfonyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]but-3-enyl] ester IUPAC Name: [(2R)-2-[(4-bromophenyl)sulfonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]but-3-enyl] acetate Traditional Name: acetic acid [(2R)-2-[brosyl(tert-butoxycarbonyl)amino]but-3-enyl] ester Formula: C17H22BrNO6S MolecularWeight: 448.32868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(C=C)N(C(=O)OC(C)(C)C)S(=O)(=O)C1=CC=C(C=C1)Br

Isomeric SMILES

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

InChI

InChI=1S/C17H22BrNO6S/c1-6-14(11-24-12(2)20)19(16(21)25-17(3,4)5)26(22,23)15-9-7-13(18)8-10-15/h6-10,14H,1,11H2,2-5H3/t14-/m1/s1