5-fluoranyl-3-methyl-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-3-methyl-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-3-methyl-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-3-methyl-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-3-methyl-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]-3-methyl-coumarilamide Formula: C28H33FN4O7S MolecularWeight: 588.647623

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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=C(C4=C(O3)C=CC(=C4)F)C

Isomeric SMILES

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

InChI

InChI=1S/C28H33FN4O7S/c1-16(2)13-22(31-28(36)26-18(4)20-14-19(29)9-11-24(20)40-26)27(35)30-21-10-8-17(3)33(15-23(21)34)41(38,39)25-7-5-6-12-32(25)37/h5-7,9,11-12,14,16-17,21-22H,8,10,13,15H2,1-4H3,(H,30,35)(H,31,36)