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

Systemtic Name: 2-[(2-sulfamoyl-1,3-benzothiazol-6-yl)oxy]ethyl 2-(2,6-diethyl-4-phenyl-pyridin-1-ium-1-yl)ethanoate Openeye Name: 2-[(2-sulfamoyl-1,3-benzothiazol-6-yl)oxy]ethyl 2-(2,6-diethyl-4-phenyl-pyridin-1-ium-1-yl)acetate CAS Name: 2-(2,6-diethyl-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-diethyl-4-phenylpyridin-1-ium-1-yl)acetate Traditional Name: 2-(2,6-diethyl-4-phenyl-pyridin-1-ium-1-yl)acetic acid 2-[(2-sulfamoyl-1,3-benzothiazol-6-yl)oxy]ethyl ester Formula: C26H28N3O5S2+ MolecularWeight: 526.64762

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=[N+]1CC(=O)OCCOC2=CC3=C(C=C2)N=C(S3)S(=O)(=O)N)CC)C4=CC=CC=C4

Isomeric SMILES

CCC1=CC(=CC(=[N+]1CC(=O)OCCOC2=CC3=C(C=C2)N=C(S3)S(=O)(=O)N)CC)C4=CC=CC=C4

InChI

InChI=1S/C26H28N3O5S2/c1-3-20-14-19(18-8-6-5-7-9-18)15-21(4-2)29(20)17-25(30)34-13-12-33-22-10-11-23-24(16-22)35-26(28-23)36(27,31)32/h5-11,14-16H,3-4,12-13,17H2,1-2H3,(H2,27,31,32)/q+1