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

Systemtic Name: 2-(4-sulfamoylphenyl)ethyl 2-[4-phenyl-2,6-di(propan-2-yl)pyridin-1-ium-1-yl]ethanoate Openeye Name: 2-(4-sulfamoylphenyl)ethyl 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 2-(4-sulfamoylphenyl)ethyl ester IUPAC Name: 2-(4-sulfamoylphenyl)ethyl 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 2-(4-sulfamoylphenyl)ethyl ester Formula: C27H33N2O4S+ MolecularWeight: 481.62692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC(=[N+]1CC(=O)OCCC2=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)OCCC2=CC=C(C=C2)S(=O)(=O)N)C(C)C)C3=CC=CC=C3

InChI

InChI=1S/C27H33N2O4S/c1-19(2)25-16-23(22-8-6-5-7-9-22)17-26(20(3)4)29(25)18-27(30)33-15-14-21-10-12-24(13-11-21)34(28,31)32/h5-13,16-17,19-20H,14-15,18H2,1-4H3,(H2,28,31,32)/q+1