N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxy-ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxy-ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxy-acetamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-2-[[6-(dimethylsulfamoyl)-1-benzotriazolyl]oxy]acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxyacetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxy-acetamide Formula: C22H28N6O6S2 MolecularWeight: 536.62432

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC2=C(C=C1)N=NN2OCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC2=C(C=C1)N=NN2OCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C22H28N6O6S2/c1-26(2)35(30,31)19-10-11-20-21(15-19)28(25-24-20)34-16-22(29)23-17-8-7-9-18(14-17)36(32,33)27-12-5-3-4-6-13-27/h7-11,14-15H,3-6,12-13,16H2,1-2H3,(H,23,29)