(3-morpholin-4-ylsulfonylphenyl)methyl 1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxylate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxylate Openeye Name: (3-morpholinosulfonylphenyl)methyl 1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxylate CAS Name: 1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxylate Traditional Name: 1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid (3-morpholinosulfonylbenzyl) ester Formula: C21H21FN4O5S MolecularWeight: 460.478643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1C2=CC=C(C=C2)F)C(=O)OCC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=NC(=NN1C2=CC=C(C=C2)F)C(=O)OCC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H21FN4O5S/c1-15-23-20(24-26(15)18-7-5-17(22)6-8-18)21(27)31-14-16-3-2-4-19(13-16)32(28,29)25-9-11-30-12-10-25/h2-8,13H,9-12,14H2,1H3