ethyl 1-(3-fluorophenyl)-5-[[(4-sulfamoylphenyl)methylamino]methyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(3-fluorophenyl)-5-[[(4-sulfamoylphenyl)methylamino]methyl]pyrazole-4-carboxylate Openeye Name: ethyl 1-(3-fluorophenyl)-5-[[(4-sulfamoylphenyl)methylamino]methyl]pyrazole-4-carboxylate CAS Name: 1-(3-fluorophenyl)-5-[[(4-sulfamoylphenyl)methylamino]methyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-fluorophenyl)-5-[[(4-sulfamoylphenyl)methylamino]methyl]pyrazole-4-carboxylate Traditional Name: 1-(3-fluorophenyl)-5-[[(4-sulfamoylbenzyl)amino]methyl]pyrazole-4-carboxylic acid ethyl ester Formula: C20H21FN4O4S MolecularWeight: 432.468543

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC(=CC=C2)F)CNCC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC(=CC=C2)F)CNCC3=CC=C(C=C3)S(=O)(=O)N

InChI

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