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

Systemtic Name: [4-ethoxycarbonyl-2-(4-fluorophenyl)pyrazol-3-yl]methyl-[(4-sulfamoylphenyl)methyl]azanium Openeye Name: [4-ethoxycarbonyl-2-(4-fluorophenyl)pyrazol-3-yl]methyl-[(4-sulfamoylphenyl)methyl]ammonium CAS Name: [4-ethoxycarbonyl-2-(4-fluorophenyl)-3-pyrazolyl]methyl-[(4-sulfamoylphenyl)methyl]ammonium IUPAC Name: [4-ethoxycarbonyl-2-(4-fluorophenyl)pyrazol-3-yl]methyl-[(4-sulfamoylphenyl)methyl]azanium Traditional Name: [4-carbethoxy-2-(4-fluorophenyl)pyrazol-3-yl]methyl-(4-sulfamoylbenzyl)ammonium Formula: C20H22FN4O4S+ MolecularWeight: 433.476483

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)F)C[NH2+]CC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)F)C[NH2+]CC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C20H21FN4O4S/c1-2-29-20(26)18-12-24-25(16-7-5-15(21)6-8-16)19(18)13-23-11-14-3-9-17(10-4-14)30(22,27)28/h3-10,12,23H,2,11,13H2,1H3,(H2,22,27,28)/p+1