4-[2-[(5-bromanyl-2-ethoxy-phenyl)sulfonylamino]ethyl]benzoic acid

Systemtic Name: 4-[2-[(5-bromanyl-2-ethoxy-phenyl)sulfonylamino]ethyl]benzoic acid Openeye Name: 4-[2-[(5-bromo-2-ethoxy-phenyl)sulfonylamino]ethyl]benzoic acid CAS Name: 4-[2-[(5-bromo-2-ethoxyphenyl)sulfonylamino]ethyl]benzoic acid IUPAC Name: 4-[2-[(5-bromo-2-ethoxyphenyl)sulfonylamino]ethyl]benzoic acid Traditional Name: 4-[2-[(5-bromo-2-ethoxy-phenyl)sulfonylamino]ethyl]benzoic acid Formula: C17H18BrNO5S MolecularWeight: 428.29752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)NCCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)NCCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C17H18BrNO5S/c1-2-24-15-8-7-14(18)11-16(15)25(22,23)19-10-9-12-3-5-13(6-4-12)17(20)21/h3-8,11,19H,2,9-10H2,1H3,(H,20,21)