N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide Formula: C22H24FN5O3S MolecularWeight: 457.521063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1C2=CC=C(C=C2)F)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=NC(=NN1C2=CC=C(C=C2)F)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C22H24FN5O3S/c1-16-24-21(26-28(16)19-10-6-17(23)7-11-19)22(29)25-18-8-12-20(13-9-18)32(30,31)27-14-4-2-3-5-15-27/h6-13H,2-5,14-15H2,1H3,(H,25,29)