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

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide Formula: C23H26FN5O4S MolecularWeight: 487.547043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26FN5O4S/c1-16-25-22(27-29(16)18-9-7-17(24)8-10-18)23(30)26-20-15-19(11-12-21(20)33-2)34(31,32)28-13-5-3-4-6-14-28/h7-12,15H,3-6,13-14H2,1-2H3,(H,26,30)