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

Systemtic Name: ethyl 2-[8-[[2-[(4-cyanophenyl)methyl]-3-methyl-1-benzofuran-6-yl]sulfamoyl]quinolin-1-ium-1-yl]ethanoate Openeye Name: ethyl 2-[8-[[2-[(4-cyanophenyl)methyl]-3-methyl-benzofuran-6-yl]sulfamoyl]quinolin-1-ium-1-yl]acetate CAS Name: 2-[8-[[2-[(4-cyanophenyl)methyl]-3-methyl-6-benzofuranyl]sulfamoyl]-1-quinolin-1-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[8-[[2-[(4-cyanophenyl)methyl]-3-methyl-1-benzofuran-6-yl]sulfamoyl]quinolin-1-ium-1-yl]acetate Traditional Name: 2-[8-[[2-(4-cyanobenzyl)-3-methyl-benzofuran-6-yl]sulfamoyl]quinolin-1-ium-1-yl]acetic acid ethyl ester Formula: C30H26N3O5S+ MolecularWeight: 540.60954

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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)C

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)C

InChI

InChI=1S/C30H26N3O5S/c1-3-37-29(34)19-33-15-5-7-23-6-4-8-28(30(23)33)39(35,36)32-24-13-14-25-20(2)26(38-27(25)17-24)16-21-9-11-22(18-31)12-10-21/h4-15,17,32H,3,16,19H2,1-2H3/q+1