3,5-dimethyl-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: 3,5-dimethyl-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: 3,5-dimethyl-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: 3,5-dimethyl-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: 3,5-dimethyl-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: N-[(1S)-1-[[3-keto-1-(1-oxidopyridin-1-ium-2-yl)sulfonyl-azepan-4-yl]carbamoyl]-3-methyl-butyl]-3,5-dimethyl-coumarilamide Formula: C28H34N4O7S MolecularWeight: 570.65716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=C2C)C(=O)NC(CC(C)C)C(=O)NC3CCCN(CC3=O)S(=O)(=O)C4=CC=CC=[N+]4[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=C2C)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/C28H34N4O7S/c1-17(2)14-22(30-28(35)26-19(4)20-15-18(3)10-11-24(20)39-26)27(34)29-21-8-7-12-31(16-23(21)33)40(37,38)25-9-5-6-13-32(25)36/h5-6,9-11,13,15,17,21-22H,7-8,12,14,16H2,1-4H3,(H,29,34)(H,30,35)/t21?,22-/m0/s1