5-fluoranyl-N-[4-methyl-1-[[7-methyl-1-(1-oxidanidylpyridin-1-ium-2-yl)sulfonyl-3-oxidanylidene-azepan-4-yl]amino]-1-oxidanylidene-pentan-2-yl]-1-benzofuran-2-carboxamide

Systemtic Name: 5-fluoranyl-N-[4-methyl-1-[[7-methyl-1-(1-oxidanidylpyridin-1-ium-2-yl)sulfonyl-3-oxidanylidene-azepan-4-yl]amino]-1-oxidanylidene-pentan-2-yl]-1-benzofuran-2-carboxamide Openeye Name: 5-fluoro-N-[3-methyl-1-[[7-methyl-1-(1-oxidopyridin-1-ium-2-yl)sulfonyl-3-oxo-azepan-4-yl]carbamoyl]butyl]benzofuran-2-carboxamide CAS Name: 5-fluoro-N-[4-methyl-1-[[7-methyl-1-[(1-oxido-2-pyridin-1-iumyl)sulfonyl]-3-oxo-4-azepanyl]amino]-1-oxopentan-2-yl]-2-benzofurancarboxamide IUPAC Name: 5-fluoro-N-[4-methyl-1-[[7-methyl-1-(1-oxidopyridin-1-ium-2-yl)sulfonyl-3-oxoazepan-4-yl]amino]-1-oxopentan-2-yl]-1-benzofuran-2-carboxamide Traditional Name: 5-fluoro-N-[1-[[3-keto-7-methyl-1-(1-oxidopyridin-1-ium-2-yl)sulfonyl-azepan-4-yl]carbamoyl]-3-methyl-butyl]coumarilamide Formula: C27H31FN4O7S MolecularWeight: 574.621043

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(=O)CN1S(=O)(=O)C2=CC=CC=[N+]2[O-])NC(=O)C(CC(C)C)NC(=O)C3=CC4=C(O3)C=CC(=C4)F

Isomeric SMILES

CC1CCC(C(=O)CN1S(=O)(=O)C2=CC=CC=[N+]2[O-])NC(=O)C(CC(C)C)NC(=O)C3=CC4=C(O3)C=CC(=C4)F

InChI

InChI=1S/C27H31FN4O7S/c1-16(2)12-21(30-27(35)24-14-18-13-19(28)8-10-23(18)39-24)26(34)29-20-9-7-17(3)32(15-22(20)33)40(37,38)25-6-4-5-11-31(25)36/h4-6,8,10-11,13-14,16-17,20-21H,7,9,12,15H2,1-3H3,(H,29,34)(H,30,35)