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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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