[4-ethoxycarbonyl-2-(3-fluorophenyl)pyrazol-3-yl]methyl-[2-(4-sulfamoylphenyl)ethyl]azanium

Systemtic Name: [4-ethoxycarbonyl-2-(3-fluorophenyl)pyrazol-3-yl]methyl-[2-(4-sulfamoylphenyl)ethyl]azanium Openeye Name: [4-ethoxycarbonyl-2-(3-fluorophenyl)pyrazol-3-yl]methyl-[2-(4-sulfamoylphenyl)ethyl]ammonium CAS Name: [4-ethoxycarbonyl-2-(3-fluorophenyl)-3-pyrazolyl]methyl-[2-(4-sulfamoylphenyl)ethyl]ammonium IUPAC Name: [4-ethoxycarbonyl-2-(3-fluorophenyl)pyrazol-3-yl]methyl-[2-(4-sulfamoylphenyl)ethyl]azanium Traditional Name: [4-carbethoxy-2-(3-fluorophenyl)pyrazol-3-yl]methyl-[2-(4-sulfamoylphenyl)ethyl]ammonium Formula: C21H24FN4O4S+ MolecularWeight: 447.503063

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC(=CC=C2)F)C[NH2+]CCC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC(=CC=C2)F)C[NH2+]CCC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C21H23FN4O4S/c1-2-30-21(27)19-13-25-26(17-5-3-4-16(22)12-17)20(19)14-24-11-10-15-6-8-18(9-7-15)31(23,28)29/h3-9,12-13,24H,2,10-11,14H2,1H3,(H2,23,28,29)/p+1