5-bromanyl-N-[(2S)-4-methyl-1-[[1-(1-oxidanidylpyridin-1-ium-2-yl)sulfonyl-3-oxidanylidene-azepan-4-yl]amino]-1-oxidanylidene-pentan-2-yl]furan-2-carboxamide

Systemtic Name: 5-bromanyl-N-[(2S)-4-methyl-1-[[1-(1-oxidanidylpyridin-1-ium-2-yl)sulfonyl-3-oxidanylidene-azepan-4-yl]amino]-1-oxidanylidene-pentan-2-yl]furan-2-carboxamide Openeye Name: 5-bromo-N-[(1S)-3-methyl-1-[[1-(1-oxidopyridin-1-ium-2-yl)sulfonyl-3-oxo-azepan-4-yl]carbamoyl]butyl]furan-2-carboxamide CAS Name: 5-bromo-N-[(2S)-4-methyl-1-[[1-[(1-oxido-2-pyridin-1-iumyl)sulfonyl]-3-oxo-4-azepanyl]amino]-1-oxopentan-2-yl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[(2S)-4-methyl-1-[[1-(1-oxidopyridin-1-ium-2-yl)sulfonyl-3-oxoazepan-4-yl]amino]-1-oxopentan-2-yl]furan-2-carboxamide Traditional Name: 5-bromo-N-[(1S)-1-[[3-keto-1-(1-oxidopyridin-1-ium-2-yl)sulfonyl-azepan-4-yl]carbamoyl]-3-methyl-butyl]-2-furamide Formula: C22H27BrN4O7S MolecularWeight: 571.44138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1CCCN(CC1=O)S(=O)(=O)C2=CC=CC=[N+]2[O-])NC(=O)C3=CC=C(O3)Br

Isomeric SMILES

CC(C)C[C@@H](C(=O)NC1CCCN(CC1=O)S(=O)(=O)C2=CC=CC=[N+]2[O-])NC(=O)C3=CC=C(O3)Br

InChI

InChI=1S/C22H27BrN4O7S/c1-14(2)12-16(25-22(30)18-8-9-19(23)34-18)21(29)24-15-6-5-10-26(13-17(15)28)35(32,33)20-7-3-4-11-27(20)31/h3-4,7-9,11,14-16H,5-6,10,12-13H2,1-2H3,(H,24,29)(H,25,30)/t15?,16-/m0/s1