3-(azepan-1-ylsulfonyl)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-4-methoxy-benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-4-methoxy-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-4-methoxy-benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-4-methoxybenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-4-methoxybenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-4-methoxy-benzamide Formula: C22H24FN5O4S MolecularWeight: 473.520463

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=NNC(=N2)C3=CC=C(C=C3)F)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=NNC(=N2)C3=CC=C(C=C3)F)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C22H24FN5O4S/c1-32-18-11-8-16(14-19(18)33(30,31)28-12-4-2-3-5-13-28)21(29)25-22-24-20(26-27-22)15-6-9-17(23)10-7-15/h6-11,14H,2-5,12-13H2,1H3,(H2,24,25,26,27,29)