methyl (2R)-2-[[2,5-bis(bromanyl)phenyl]sulfonyl-but-3-enyl-amino]-3-phenyl-propanoate

Systemtic Name: methyl (2R)-2-[[2,5-bis(bromanyl)phenyl]sulfonyl-but-3-enyl-amino]-3-phenyl-propanoate Openeye Name: methyl (2R)-2-[but-3-enyl-(2,5-dibromophenyl)sulfonyl-amino]-3-phenyl-propanoate CAS Name: (2R)-2-[but-3-enyl-(2,5-dibromophenyl)sulfonylamino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2R)-2-[but-3-enyl-(2,5-dibromophenyl)sulfonylamino]-3-phenylpropanoate Traditional Name: (2R)-2-[but-3-enyl-(2,5-dibromophenyl)sulfonyl-amino]-3-phenyl-propionic acid methyl ester Formula: C20H21Br2NO4S MolecularWeight: 531.25804

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)N(CCC=C)S(=O)(=O)C2=C(C=CC(=C2)Br)Br

Isomeric SMILES

COC(=O)[C@@H](CC1=CC=CC=C1)N(CCC=C)S(=O)(=O)C2=C(C=CC(=C2)Br)Br

InChI

InChI=1S/C20H21Br2NO4S/c1-3-4-12-23(28(25,26)19-14-16(21)10-11-17(19)22)18(20(24)27-2)13-15-8-6-5-7-9-15/h3,5-11,14,18H,1,4,12-13H2,2H3/t18-/m1/s1