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

Systemtic Name: N-[4-methyl-1-[(5-methyl-3-oxidanylidene-1-pyridin-2-ylsulfonyl-azepan-4-yl)amino]-1-oxidanylidene-pentan-2-yl]-1-benzofuran-2-carboxamide Openeye Name: N-[3-methyl-1-[[5-methyl-3-oxo-1-(2-pyridylsulfonyl)azepan-4-yl]carbamoyl]butyl]benzofuran-2-carboxamide CAS Name: N-[4-methyl-1-[[5-methyl-3-oxo-1-(2-pyridinylsulfonyl)-4-azepanyl]amino]-1-oxopentan-2-yl]-2-benzofurancarboxamide IUPAC Name: N-[4-methyl-1-[(5-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)amino]-1-oxopentan-2-yl]-1-benzofuran-2-carboxamide Traditional Name: N-[1-[[3-keto-5-methyl-1-(2-pyridylsulfonyl)azepan-4-yl]carbamoyl]-3-methyl-butyl]coumarilamide Formula: C27H32N4O6S MolecularWeight: 540.63118

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC(=O)C1NC(=O)C(CC(C)C)NC(=O)C2=CC3=CC=CC=C3O2)S(=O)(=O)C4=CC=CC=N4

Isomeric SMILES

CC1CCN(CC(=O)C1NC(=O)C(CC(C)C)NC(=O)C2=CC3=CC=CC=C3O2)S(=O)(=O)C4=CC=CC=N4

InChI

InChI=1S/C27H32N4O6S/c1-17(2)14-20(29-27(34)23-15-19-8-4-5-9-22(19)37-23)26(33)30-25-18(3)11-13-31(16-21(25)32)38(35,36)24-10-6-7-12-28-24/h4-10,12,15,17-18,20,25H,11,13-14,16H2,1-3H3,(H,29,34)(H,30,33)