5-fluoranyl-3-methyl-N-[(2S)-4-methyl-1-[[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-[(2S)-4-methyl-1-[[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-[(1S)-3-methyl-1-[[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-[(2S)-4-methyl-1-[[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-[(2S)-4-methyl-1-[[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-[(1S)-1-[[3-keto-1-(1-oxidopyridin-1-ium-2-yl)sulfonyl-azepan-4-yl]carbamoyl]-3-methyl-butyl]-3-methyl-coumarilamide Formula: C27H31FN4O7S MolecularWeight: 574.621043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)F)C(=O)NC(CC(C)C)C(=O)NC3CCCN(CC3=O)S(=O)(=O)C4=CC=CC=[N+]4[O-]

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)F)C(=O)N[C@@H](CC(C)C)C(=O)NC3CCCN(CC3=O)S(=O)(=O)C4=CC=CC=[N+]4[O-]

InChI

InChI=1S/C27H31FN4O7S/c1-16(2)13-21(30-27(35)25-17(3)19-14-18(28)9-10-23(19)39-25)26(34)29-20-7-6-11-31(15-22(20)33)40(37,38)24-8-4-5-12-32(24)36/h4-5,8-10,12,14,16,20-21H,6-7,11,13,15H2,1-3H3,(H,29,34)(H,30,35)/t20?,21-/m0/s1