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

Systemtic Name: 5-bromanyl-N-[(2S)-4-methyl-1-oxidanylidene-1-[(3-oxidanylidene-1-pyridin-2-ylsulfonyl-azepan-4-yl)amino]pentan-2-yl]furan-2-carboxamide Openeye Name: 5-bromo-N-[(1S)-3-methyl-1-[[3-oxo-1-(2-pyridylsulfonyl)azepan-4-yl]carbamoyl]butyl]furan-2-carboxamide CAS Name: 5-bromo-N-[(2S)-4-methyl-1-oxo-1-[[3-oxo-1-(2-pyridinylsulfonyl)-4-azepanyl]amino]pentan-2-yl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[(2S)-4-methyl-1-oxo-1-[(3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)amino]pentan-2-yl]furan-2-carboxamide Traditional Name: 5-bromo-N-[(1S)-1-[[3-keto-1-(2-pyridylsulfonyl)azepan-4-yl]carbamoyl]-3-methyl-butyl]-2-furamide Formula: C22H27BrN4O6S MolecularWeight: 555.44198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1CCCN(CC1=O)S(=O)(=O)C2=CC=CC=N2)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=N2)NC(=O)C3=CC=C(O3)Br

InChI

InChI=1S/C22H27BrN4O6S/c1-14(2)12-16(26-22(30)18-8-9-19(23)33-18)21(29)25-15-6-5-11-27(13-17(15)28)34(31,32)20-7-3-4-10-24-20/h3-4,7-10,14-16H,5-6,11-13H2,1-2H3,(H,25,29)(H,26,30)/t15?,16-/m0/s1