methyl (2S)-3-(3-bromanyl-4-oxidanyl-phenyl)-2-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: methyl (2S)-3-(3-bromanyl-4-oxidanyl-phenyl)-2-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: methyl (2S)-3-(3-bromo-4-hydroxy-phenyl)-2-(p-tolylsulfonylamino)propanoate CAS Name: (2S)-3-(3-bromo-4-hydroxyphenyl)-2-[(4-methylphenyl)sulfonylamino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(3-bromo-4-hydroxyphenyl)-2-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: (2S)-3-(3-bromo-4-hydroxy-phenyl)-2-(tosylamino)propionic acid methyl ester Formula: C17H18BrNO5S MolecularWeight: 428.29752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC(=C(C=C2)O)Br)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CC(=C(C=C2)O)Br)C(=O)OC

InChI

InChI=1S/C17H18BrNO5S/c1-11-3-6-13(7-4-11)25(22,23)19-15(17(21)24-2)10-12-5-8-16(20)14(18)9-12/h3-9,15,19-20H,10H2,1-2H3/t15-/m0/s1