ethyl 2-[8-[[2-[(4-cyanophenyl)methyl]-1-methyl-indol-5-yl]sulfamoyl]quinolin-1-ium-1-yl]ethanoate

Systemtic Name: ethyl 2-[8-[[2-[(4-cyanophenyl)methyl]-1-methyl-indol-5-yl]sulfamoyl]quinolin-1-ium-1-yl]ethanoate Openeye Name: ethyl 2-[8-[[2-[(4-cyanophenyl)methyl]-1-methyl-indol-5-yl]sulfamoyl]quinolin-1-ium-1-yl]acetate CAS Name: 2-[8-[[2-[(4-cyanophenyl)methyl]-1-methyl-5-indolyl]sulfamoyl]-1-quinolin-1-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[8-[[2-[(4-cyanophenyl)methyl]-1-methylindol-5-yl]sulfamoyl]quinolin-1-ium-1-yl]acetate Traditional Name: 2-[8-[[2-(4-cyanobenzyl)-1-methyl-indol-5-yl]sulfamoyl]quinolin-1-ium-1-yl]acetic acid ethyl ester Formula: C30H27N4O4S+ MolecularWeight: 539.62478

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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)N(C(=C4)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)N(C(=C4)CC5=CC=C(C=C5)C#N)C

InChI

InChI=1S/C30H27N4O4S/c1-3-38-29(35)20-34-15-5-7-23-6-4-8-28(30(23)34)39(36,37)32-25-13-14-27-24(17-25)18-26(33(27)2)16-21-9-11-22(19-31)12-10-21/h4-15,17-18,32H,3,16,20H2,1-2H3/q+1