2-[(4-acetamidophenyl)sulfonylamino]-3-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]propanoic acid

Systemtic Name: 2-[(4-acetamidophenyl)sulfonylamino]-3-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]propanoic acid Openeye Name: 2-[(4-acetamidophenyl)sulfonylamino]-3-(3,5-dibromo-4-hydroxy-phenyl)propanoic acid CAS Name: 2-[(4-acetamidophenyl)sulfonylamino]-3-(3,5-dibromo-4-hydroxyphenyl)propanoic acid IUPAC Name: 2-[(4-acetamidophenyl)sulfonylamino]-3-(3,5-dibromo-4-hydroxyphenyl)propanoic acid Traditional Name: 2-[(4-acetamidophenyl)sulfonylamino]-3-(3,5-dibromo-4-hydroxy-phenyl)propionic acid Formula: C17H16Br2N2O6S MolecularWeight: 536.19174

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC(=C(C(=C2)Br)O)Br)C(=O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC(=C(C(=C2)Br)O)Br)C(=O)O

InChI

InChI=1S/C17H16Br2N2O6S/c1-9(22)20-11-2-4-12(5-3-11)28(26,27)21-15(17(24)25)8-10-6-13(18)16(23)14(19)7-10/h2-7,15,21,23H,8H2,1H3,(H,20,22)(H,24,25)