methyl 4-[[4-(pyridin-1-ium-2-ylsulfamoyl)phenyl]iminomethyl]benzoate

Systemtic Name: methyl 4-[[4-(pyridin-1-ium-2-ylsulfamoyl)phenyl]iminomethyl]benzoate Openeye Name: methyl 4-[[4-(pyridin-1-ium-2-ylsulfamoyl)phenyl]iminomethyl]benzoate CAS Name: 4-[[4-(2-pyridin-1-iumylsulfamoyl)phenyl]iminomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(pyridin-1-ium-2-ylsulfamoyl)phenyl]iminomethyl]benzoate Traditional Name: 4-[[4-(pyridin-1-ium-2-ylsulfamoyl)phenyl]iminomethyl]benzoic acid methyl ester Formula: C20H18N3O4S+ MolecularWeight: 396.43962

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=[NH+]3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C=NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=[NH+]3

InChI

InChI=1S/C20H17N3O4S/c1-27-20(24)16-7-5-15(6-8-16)14-22-17-9-11-18(12-10-17)28(25,26)23-19-4-2-3-13-21-19/h2-14H,1H3,(H,21,23)/p+1