ethyl 2-[8-[[2-[(4-cyanophenoxy)methyl]-4-methyl-quinolin-7-yl]sulfamoyl]quinolin-1-ium-1-yl]ethanoate

Systemtic Name: ethyl 2-[8-[[2-[(4-cyanophenoxy)methyl]-4-methyl-quinolin-7-yl]sulfamoyl]quinolin-1-ium-1-yl]ethanoate Openeye Name: ethyl 2-[8-[[2-[(4-cyanophenoxy)methyl]-4-methyl-7-quinolyl]sulfamoyl]quinolin-1-ium-1-yl]acetate CAS Name: 2-[8-[[2-[(4-cyanophenoxy)methyl]-4-methyl-7-quinolinyl]sulfamoyl]-1-quinolin-1-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[8-[[2-[(4-cyanophenoxy)methyl]-4-methylquinolin-7-yl]sulfamoyl]quinolin-1-ium-1-yl]acetate Traditional Name: 2-[8-[[2-[(4-cyanophenoxy)methyl]-4-methyl-7-quinolyl]sulfamoyl]quinolin-1-ium-1-yl]acetic acid ethyl ester Formula: C31H27N4O5S+ MolecularWeight: 567.63488

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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(=CC(=N4)COC5=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(=CC(=N4)COC5=CC=C(C=C5)C#N)C

InChI

InChI=1S/C31H27N4O5S/c1-3-39-30(36)19-35-15-5-7-23-6-4-8-29(31(23)35)41(37,38)34-24-11-14-27-21(2)16-25(33-28(27)17-24)20-40-26-12-9-22(18-32)10-13-26/h4-17,34H,3,19-20H2,1-2H3/q+1