2-[(5-bromanyl-2-ethoxy-phenyl)sulfonylamino]-3-(1H-imidazol-5-yl)propanoic acid

Systemtic Name: 2-[(5-bromanyl-2-ethoxy-phenyl)sulfonylamino]-3-(1H-imidazol-5-yl)propanoic acid Openeye Name: 2-[(5-bromo-2-ethoxy-phenyl)sulfonylamino]-3-(1H-imidazol-5-yl)propanoic acid CAS Name: 2-[(5-bromo-2-ethoxyphenyl)sulfonylamino]-3-(1H-imidazol-5-yl)propanoic acid IUPAC Name: 2-[(5-bromo-2-ethoxyphenyl)sulfonylamino]-3-(1H-imidazol-5-yl)propanoic acid Traditional Name: 2-[(5-bromo-2-ethoxy-phenyl)sulfonylamino]-3-(1H-imidazol-5-yl)propionic acid Formula: C14H16BrN3O5S MolecularWeight: 418.26294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)NC(CC2=CN=CN2)C(=O)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)NC(CC2=CN=CN2)C(=O)O

InChI

InChI=1S/C14H16BrN3O5S/c1-2-23-12-4-3-9(15)5-13(12)24(21,22)18-11(14(19)20)6-10-7-16-8-17-10/h3-5,7-8,11,18H,2,6H2,1H3,(H,16,17)(H,19,20)