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

Systemtic Name: N-[(2S)-4-methyl-1-[[1-(1-methylimidazol-4-yl)sulfonyl-3-oxidanylidene-azepan-4-yl]amino]-1-oxidanylidene-pentan-2-yl]-5-oxidanyl-1-benzofuran-2-carboxamide Openeye Name: 5-hydroxy-N-[(1S)-3-methyl-1-[[1-(1-methylimidazol-4-yl)sulfonyl-3-oxo-azepan-4-yl]carbamoyl]butyl]benzofuran-2-carboxamide CAS Name: 5-hydroxy-N-[(2S)-4-methyl-1-[[1-[(1-methyl-4-imidazolyl)sulfonyl]-3-oxo-4-azepanyl]amino]-1-oxopentan-2-yl]-2-benzofurancarboxamide IUPAC Name: 5-hydroxy-N-[(2S)-4-methyl-1-[[1-(1-methylimidazol-4-yl)sulfonyl-3-oxoazepan-4-yl]amino]-1-oxopentan-2-yl]-1-benzofuran-2-carboxamide Traditional Name: 5-hydroxy-N-[(1S)-1-[[3-keto-1-(1-methylimidazol-4-yl)sulfonyl-azepan-4-yl]carbamoyl]-3-methyl-butyl]coumarilamide Formula: C25H31N5O7S MolecularWeight: 545.60794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)C[C@@H](C(=O)NC1CCCN(CC1=O)S(=O)(=O)C2=CN(C=N2)C)NC(=O)C3=CC4=C(O3)C=CC(=C4)O

InChI

InChI=1S/C25H31N5O7S/c1-15(2)9-19(28-25(34)22-11-16-10-17(31)6-7-21(16)37-22)24(33)27-18-5-4-8-30(12-20(18)32)38(35,36)23-13-29(3)14-26-23/h6-7,10-11,13-15,18-19,31H,4-5,8-9,12H2,1-3H3,(H,27,33)(H,28,34)/t18?,19-/m0/s1