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

Systemtic Name: N-[(2S)-4-methyl-1-[(5-methyl-3-oxidanyl-1-pyridin-2-ylsulfonyl-azepan-4-yl)amino]-1-oxidanylidene-pentan-2-yl]-1-benzofuran-2-carboxamide Openeye Name: N-[(1S)-1-[[3-hydroxy-5-methyl-1-(2-pyridylsulfonyl)azepan-4-yl]carbamoyl]-3-methyl-butyl]benzofuran-2-carboxamide CAS Name: N-[(2S)-1-[[3-hydroxy-5-methyl-1-(2-pyridinylsulfonyl)-4-azepanyl]amino]-4-methyl-1-oxopentan-2-yl]-2-benzofurancarboxamide IUPAC Name: N-[(2S)-1-[(3-hydroxy-5-methyl-1-pyridin-2-ylsulfonylazepan-4-yl)amino]-4-methyl-1-oxopentan-2-yl]-1-benzofuran-2-carboxamide Traditional Name: N-[(1S)-1-[[3-hydroxy-5-methyl-1-(2-pyridylsulfonyl)azepan-4-yl]carbamoyl]-3-methyl-butyl]coumarilamide Formula: C27H34N4O6S MolecularWeight: 542.64706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1CCN(CC(C1NC(=O)[C@H](CC(C)C)NC(=O)C2=CC3=CC=CC=C3O2)O)S(=O)(=O)C4=CC=CC=N4

InChI

InChI=1S/C27H34N4O6S/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/h4-10,12,15,17-18,20-21,25,32H,11,13-14,16H2,1-3H3,(H,29,34)(H,30,33)/t18?,20-,21?,25?/m0/s1