ethyl 2-[8-[[3-bromanyl-2-[(4-cyanophenyl)methyl]-1-benzofuran-6-yl]sulfamoyl]quinolin-1-ium-1-yl]ethanoate

Systemtic Name: ethyl 2-[8-[[3-bromanyl-2-[(4-cyanophenyl)methyl]-1-benzofuran-6-yl]sulfamoyl]quinolin-1-ium-1-yl]ethanoate Openeye Name: ethyl 2-[8-[[3-bromo-2-[(4-cyanophenyl)methyl]benzofuran-6-yl]sulfamoyl]quinolin-1-ium-1-yl]acetate CAS Name: 2-[8-[[3-bromo-2-[(4-cyanophenyl)methyl]-6-benzofuranyl]sulfamoyl]-1-quinolin-1-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[8-[[3-bromo-2-[(4-cyanophenyl)methyl]-1-benzofuran-6-yl]sulfamoyl]quinolin-1-ium-1-yl]acetate Traditional Name: 2-[8-[[3-bromo-2-(4-cyanobenzyl)benzofuran-6-yl]sulfamoyl]quinolin-1-ium-1-yl]acetic acid ethyl ester Formula: C29H23BrN3O5S+ MolecularWeight: 605.47902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1=CC=CC2=C1C(=CC=C2)S(=O)(=O)NC3=CC4=C(C=C3)C(=C(O4)CC5=CC=C(C=C5)C#N)Br

Isomeric SMILES

CCOC(=O)C[N+]1=CC=CC2=C1C(=CC=C2)S(=O)(=O)NC3=CC4=C(C=C3)C(=C(O4)CC5=CC=C(C=C5)C#N)Br

InChI

InChI=1S/C29H23BrN3O5S/c1-2-37-27(34)18-33-14-4-6-21-5-3-7-26(29(21)33)39(35,36)32-22-12-13-23-24(16-22)38-25(28(23)30)15-19-8-10-20(17-31)11-9-19/h3-14,16,32H,2,15,18H2,1H3/q+1