5,6-dimethoxy-N-[3-methyl-1-[[1-(1-oxidanidylpyridin-1-ium-2-yl)sulfonyl-3-oxidanylidene-azepan-4-yl]amino]-1-oxidanylidene-butan-2-yl]-1-benzofuran-2-carboxamide

Systemtic Name: 5,6-dimethoxy-N-[3-methyl-1-[[1-(1-oxidanidylpyridin-1-ium-2-yl)sulfonyl-3-oxidanylidene-azepan-4-yl]amino]-1-oxidanylidene-butan-2-yl]-1-benzofuran-2-carboxamide Openeye Name: 5,6-dimethoxy-N-[2-methyl-1-[[1-(1-oxidopyridin-1-ium-2-yl)sulfonyl-3-oxo-azepan-4-yl]carbamoyl]propyl]benzofuran-2-carboxamide CAS Name: 5,6-dimethoxy-N-[3-methyl-1-[[1-[(1-oxido-2-pyridin-1-iumyl)sulfonyl]-3-oxo-4-azepanyl]amino]-1-oxobutan-2-yl]-2-benzofurancarboxamide IUPAC Name: 5,6-dimethoxy-N-[3-methyl-1-[[1-(1-oxidopyridin-1-ium-2-yl)sulfonyl-3-oxoazepan-4-yl]amino]-1-oxobutan-2-yl]-1-benzofuran-2-carboxamide Traditional Name: N-[1-[[3-keto-1-(1-oxidopyridin-1-ium-2-yl)sulfonyl-azepan-4-yl]carbamoyl]-2-methyl-propyl]-5,6-dimethoxy-coumarilamide Formula: C27H32N4O9S MolecularWeight: 588.62938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1CCCN(CC1=O)S(=O)(=O)C2=CC=CC=[N+]2[O-])NC(=O)C3=CC4=CC(=C(C=C4O3)OC)OC

Isomeric SMILES

CC(C)C(C(=O)NC1CCCN(CC1=O)S(=O)(=O)C2=CC=CC=[N+]2[O-])NC(=O)C3=CC4=CC(=C(C=C4O3)OC)OC

InChI

InChI=1S/C27H32N4O9S/c1-16(2)25(29-26(33)23-13-17-12-21(38-3)22(39-4)14-20(17)40-23)27(34)28-18-8-7-10-30(15-19(18)32)41(36,37)24-9-5-6-11-31(24)35/h5-6,9,11-14,16,18,25H,7-8,10,15H2,1-4H3,(H,28,34)(H,29,33)