2-[(2-sulfamoyl-1,3-benzothiazol-6-yl)oxy]ethyl 2-(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)ethanoate

Systemtic Name: 2-[(2-sulfamoyl-1,3-benzothiazol-6-yl)oxy]ethyl 2-(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)ethanoate Openeye Name: 2-[(2-sulfamoyl-1,3-benzothiazol-6-yl)oxy]ethyl 2-(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)acetate CAS Name: 2-(2,6-dimethyl-4-phenyl-1-pyridin-1-iumyl)acetic acid 2-[(2-sulfamoyl-1,3-benzothiazol-6-yl)oxy]ethyl ester IUPAC Name: 2-[(2-sulfamoyl-1,3-benzothiazol-6-yl)oxy]ethyl 2-(2,6-dimethyl-4-phenylpyridin-1-ium-1-yl)acetate Traditional Name: 2-(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)acetic acid 2-[(2-sulfamoyl-1,3-benzothiazol-6-yl)oxy]ethyl ester Formula: C24H24N3O5S2+ MolecularWeight: 498.59446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=[N+]1CC(=O)OCCOC2=CC3=C(C=C2)N=C(S3)S(=O)(=O)N)C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC(=[N+]1CC(=O)OCCOC2=CC3=C(C=C2)N=C(S3)S(=O)(=O)N)C)C4=CC=CC=C4

InChI

InChI=1S/C24H24N3O5S2/c1-16-12-19(18-6-4-3-5-7-18)13-17(2)27(16)15-23(28)32-11-10-31-20-8-9-21-22(14-20)33-24(26-21)34(25,29)30/h3-9,12-14H,10-11,15H2,1-2H3,(H2,25,29,30)/q+1