3-[[4-[(2-bromanyl-5-methoxy-phenyl)carbonylamino]phenyl]sulfonylamino]propanoic acid

Systemtic Name: 3-[[4-[(2-bromanyl-5-methoxy-phenyl)carbonylamino]phenyl]sulfonylamino]propanoic acid Openeye Name: 3-[[4-[(2-bromo-5-methoxy-benzoyl)amino]phenyl]sulfonylamino]propanoic acid CAS Name: 3-[[4-[[(2-bromo-5-methoxyphenyl)-oxomethyl]amino]phenyl]sulfonylamino]propanoic acid IUPAC Name: 3-[[4-[(2-bromo-5-methoxybenzoyl)amino]phenyl]sulfonylamino]propanoic acid Traditional Name: 3-[[4-[(2-bromo-5-methoxy-benzoyl)amino]phenyl]sulfonylamino]propionic acid Formula: C17H17BrN2O6S MolecularWeight: 457.29568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCCC(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)Br)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCCC(=O)O

InChI

InChI=1S/C17H17BrN2O6S/c1-26-12-4-7-15(18)14(10-12)17(23)20-11-2-5-13(6-3-11)27(24,25)19-9-8-16(21)22/h2-7,10,19H,8-9H2,1H3,(H,20,23)(H,21,22)