2-[3-(aminomethyl)-1-(4-methoxyphenyl)pyrazol-1-ium-1-yl]-6-(2-sulfamoylphenyl)benzamide

Systemtic Name: 2-[3-(aminomethyl)-1-(4-methoxyphenyl)pyrazol-1-ium-1-yl]-6-(2-sulfamoylphenyl)benzamide Openeye Name: 2-[3-(aminomethyl)-1-(4-methoxyphenyl)pyrazol-1-ium-1-yl]-6-(2-sulfamoylphenyl)benzamide CAS Name: 2-[3-(aminomethyl)-1-(4-methoxyphenyl)-1-pyrazol-1-iumyl]-6-(2-sulfamoylphenyl)benzamide IUPAC Name: 2-[3-(aminomethyl)-1-(4-methoxyphenyl)pyrazol-1-ium-1-yl]-6-(2-sulfamoylphenyl)benzamide Traditional Name: 2-[3-(aminomethyl)-1-(4-methoxyphenyl)pyrazol-1-ium-1-yl]-6-(2-sulfamoylphenyl)benzamide Formula: C24H24N5O4S+ MolecularWeight: 478.54346

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)[N+]2(C=CC(=N2)CN)C3=CC=CC(=C3C(=O)N)C4=CC=CC=C4S(=O)(=O)N

Isomeric SMILES

COC1=CC=C(C=C1)[N+]2(C=CC(=N2)CN)C3=CC=CC(=C3C(=O)N)C4=CC=CC=C4S(=O)(=O)N

InChI

InChI=1S/C24H23N5O4S/c1-33-18-11-9-17(10-12-18)29(14-13-16(15-25)28-29)21-7-4-6-20(23(21)24(26)30)19-5-2-3-8-22(19)34(27,31)32/h2-14H,15,25H2,1H3,(H3-,26,27,30,31,32)/p+1