(4-sulfamoylphenyl)methyl 2-[4-phenyl-2,6-di(propan-2-yl)pyridin-1-ium-1-yl]ethanoate

Systemtic Name: (4-sulfamoylphenyl)methyl 2-[4-phenyl-2,6-di(propan-2-yl)pyridin-1-ium-1-yl]ethanoate Openeye Name: (4-sulfamoylphenyl)methyl 2-(2,6-diisopropyl-4-phenyl-pyridin-1-ium-1-yl)acetate CAS Name: 2-[4-phenyl-2,6-di(propan-2-yl)-1-pyridin-1-iumyl]acetic acid (4-sulfamoylphenyl)methyl ester IUPAC Name: (4-sulfamoylphenyl)methyl 2-[4-phenyl-2,6-di(propan-2-yl)pyridin-1-ium-1-yl]acetate Traditional Name: 2-(2,6-diisopropyl-4-phenyl-pyridin-1-ium-1-yl)acetic acid (4-sulfamoylbenzyl) ester Formula: C26H31N2O4S+ MolecularWeight: 467.60034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC(=[N+]1CC(=O)OCC2=CC=C(C=C2)S(=O)(=O)N)C(C)C)C3=CC=CC=C3

Isomeric SMILES

CC(C)C1=CC(=CC(=[N+]1CC(=O)OCC2=CC=C(C=C2)S(=O)(=O)N)C(C)C)C3=CC=CC=C3

InChI

InChI=1S/C26H31N2O4S/c1-18(2)24-14-22(21-8-6-5-7-9-21)15-25(19(3)4)28(24)16-26(29)32-17-20-10-12-23(13-11-20)33(27,30)31/h5-15,18-19H,16-17H2,1-4H3,(H2,27,30,31)/q+1