3-methyl-N-[4-methyl-1-[(6-methyl-3-oxidanylidene-1-pyridin-2-ylsulfonyl-azepan-4-yl)amino]-1-oxidanylidene-pentan-2-yl]-1-benzofuran-2-carboxamide

Systemtic Name: 3-methyl-N-[4-methyl-1-[(6-methyl-3-oxidanylidene-1-pyridin-2-ylsulfonyl-azepan-4-yl)amino]-1-oxidanylidene-pentan-2-yl]-1-benzofuran-2-carboxamide Openeye Name: 3-methyl-N-[3-methyl-1-[[6-methyl-3-oxo-1-(2-pyridylsulfonyl)azepan-4-yl]carbamoyl]butyl]benzofuran-2-carboxamide CAS Name: 3-methyl-N-[4-methyl-1-[[6-methyl-3-oxo-1-(2-pyridinylsulfonyl)-4-azepanyl]amino]-1-oxopentan-2-yl]-2-benzofurancarboxamide IUPAC Name: 3-methyl-N-[4-methyl-1-[(6-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)amino]-1-oxopentan-2-yl]-1-benzofuran-2-carboxamide Traditional Name: N-[1-[[3-keto-6-methyl-1-(2-pyridylsulfonyl)azepan-4-yl]carbamoyl]-3-methyl-butyl]-3-methyl-coumarilamide Formula: C28H34N4O6S MolecularWeight: 554.65776

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(=O)CN(C1)S(=O)(=O)C2=CC=CC=N2)NC(=O)C(CC(C)C)NC(=O)C3=C(C4=CC=CC=C4O3)C

Isomeric SMILES

CC1CC(C(=O)CN(C1)S(=O)(=O)C2=CC=CC=N2)NC(=O)C(CC(C)C)NC(=O)C3=C(C4=CC=CC=C4O3)C

InChI

InChI=1S/C28H34N4O6S/c1-17(2)13-22(31-28(35)26-19(4)20-9-5-6-10-24(20)38-26)27(34)30-21-14-18(3)15-32(16-23(21)33)39(36,37)25-11-7-8-12-29-25/h5-12,17-18,21-22H,13-16H2,1-4H3,(H,30,34)(H,31,35)