3-(azepan-1-ylcarbonyl)-4-methoxy-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzenesulfonamide

Systemtic Name: 3-(azepan-1-ylcarbonyl)-4-methoxy-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzenesulfonamide Openeye Name: 3-(azepane-1-carbonyl)-4-methoxy-N-[4-(2-pyridylsulfamoyl)phenyl]benzenesulfonamide CAS Name: 3-[1-azepanyl(oxo)methyl]-4-methoxy-N-[4-(2-pyridinylsulfamoyl)phenyl]benzenesulfonamide IUPAC Name: 3-(azepane-1-carbonyl)-4-methoxy-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzenesulfonamide Traditional Name: 3-(azepane-1-carbonyl)-4-methoxy-N-[4-(2-pyridylsulfamoyl)phenyl]benzenesulfonamide Formula: C25H28N4O6S2 MolecularWeight: 544.64302

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=N3)C(=O)N4CCCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=N3)C(=O)N4CCCCCC4

InChI

InChI=1S/C25H28N4O6S2/c1-35-23-14-13-21(18-22(23)25(30)29-16-6-2-3-7-17-29)37(33,34)27-19-9-11-20(12-10-19)36(31,32)28-24-8-4-5-15-26-24/h4-5,8-15,18,27H,2-3,6-7,16-17H2,1H3,(H,26,28)