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: 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: 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: 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: 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: 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: C28H34N4O7S MolecularWeight: 570.65716

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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=CC=CC=C4O3)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=CC=CC=C4O3)C

InChI

InChI=1S/C28H34N4O7S/c1-17(2)15-22(30-28(35)26-19(4)20-9-5-6-10-24(20)39-26)27(34)29-21-13-12-18(3)32(16-23(21)33)40(37,38)25-11-7-8-14-31(25)36/h5-11,14,17-18,21-22H,12-13,15-16H2,1-4H3,(H,29,34)(H,30,35)