2-azanyl-3-[3,5-bis(bromanyl)-2-(4-oxidanyl-3-propan-2-yl-phenyl)sulfonyl-phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[3,5-bis(bromanyl)-2-(4-oxidanyl-3-propan-2-yl-phenyl)sulfonyl-phenyl]propanoic acid Openeye Name: 2-amino-3-[3,5-dibromo-2-(4-hydroxy-3-isopropyl-phenyl)sulfonyl-phenyl]propanoic acid CAS Name: 2-amino-3-[3,5-dibromo-2-(4-hydroxy-3-propan-2-ylphenyl)sulfonylphenyl]propanoic acid IUPAC Name: 2-amino-3-[3,5-dibromo-2-(4-hydroxy-3-propan-2-ylphenyl)sulfonylphenyl]propanoic acid Traditional Name: 2-amino-3-[3,5-dibromo-2-(4-hydroxy-3-isopropyl-phenyl)sulfonyl-phenyl]propionic acid Formula: C18H19Br2NO5S MolecularWeight: 521.22016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=CC(=C1)S(=O)(=O)C2=C(C=C(C=C2CC(C(=O)O)N)Br)Br)O

Isomeric SMILES

CC(C)C1=C(C=CC(=C1)S(=O)(=O)C2=C(C=C(C=C2CC(C(=O)O)N)Br)Br)O

InChI

InChI=1S/C18H19Br2NO5S/c1-9(2)13-8-12(3-4-16(13)22)27(25,26)17-10(6-15(21)18(23)24)5-11(19)7-14(17)20/h3-5,7-9,15,22H,6,21H2,1-2H3,(H,23,24)