5-bromanyl-N-[3-methyl-1-oxidanylidene-1-[(3-oxidanylidene-1-pyridin-2-ylsulfonyl-azepan-4-yl)amino]butan-2-yl]-1-benzofuran-2-carboxamide

Systemtic Name: 5-bromanyl-N-[3-methyl-1-oxidanylidene-1-[(3-oxidanylidene-1-pyridin-2-ylsulfonyl-azepan-4-yl)amino]butan-2-yl]-1-benzofuran-2-carboxamide Openeye Name: 5-bromo-N-[2-methyl-1-[[3-oxo-1-(2-pyridylsulfonyl)azepan-4-yl]carbamoyl]propyl]benzofuran-2-carboxamide CAS Name: 5-bromo-N-[3-methyl-1-oxo-1-[[3-oxo-1-(2-pyridinylsulfonyl)-4-azepanyl]amino]butan-2-yl]-2-benzofurancarboxamide IUPAC Name: 5-bromo-N-[3-methyl-1-oxo-1-[(3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)amino]butan-2-yl]-1-benzofuran-2-carboxamide Traditional Name: 5-bromo-N-[1-[[3-keto-1-(2-pyridylsulfonyl)azepan-4-yl]carbamoyl]-2-methyl-propyl]coumarilamide Formula: C25H27BrN4O6S MolecularWeight: 591.47408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1CCCN(CC1=O)S(=O)(=O)C2=CC=CC=N2)NC(=O)C3=CC4=C(O3)C=CC(=C4)Br

Isomeric SMILES

CC(C)C(C(=O)NC1CCCN(CC1=O)S(=O)(=O)C2=CC=CC=N2)NC(=O)C3=CC4=C(O3)C=CC(=C4)Br

InChI

InChI=1S/C25H27BrN4O6S/c1-15(2)23(29-24(32)21-13-16-12-17(26)8-9-20(16)36-21)25(33)28-18-6-5-11-30(14-19(18)31)37(34,35)22-7-3-4-10-27-22/h3-4,7-10,12-13,15,18,23H,5-6,11,14H2,1-2H3,(H,28,33)(H,29,32)