4-[3-[(3S)-3-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-2-oxidanylidene-azepan-1-yl]-2-oxidanylidene-propyl]-N'-oxidanyl-benzenecarboximidamide

Systemtic Name: 4-[3-[(3S)-3-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-2-oxidanylidene-azepan-1-yl]-2-oxidanylidene-propyl]-N'-oxidanyl-benzenecarboximidamide Openeye Name: 4-[3-[(3S)-3-(2,3-dihydrobenzofuran-5-ylsulfonylamino)-2-oxo-azepan-1-yl]-2-oxo-propyl]-N'-hydroxy-benzamidine CAS Name: 4-[3-[(3S)-3-(2,3-dihydrobenzofuran-5-ylsulfonylamino)-2-oxo-1-azepanyl]-2-oxopropyl]-N'-hydroxybenzenecarboximidamide IUPAC Name: 4-[3-[(3S)-3-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-2-oxoazepan-1-yl]-2-oxopropyl]-N'-hydroxybenzenecarboximidamide Traditional Name: 4-[3-[(3S)-3-(coumaran-5-ylsulfonylamino)-2-keto-azepan-1-yl]-2-keto-propyl]-N'-hydroxy-benzamidine Formula: C24H28N4O6S MolecularWeight: 500.56732

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)NS(=O)(=O)C2=CC3=C(C=C2)OCC3)CC(=O)CC4=CC=C(C=C4)C(=NO)N

Isomeric SMILES

C1CCN(C(=O)[C@H](C1)NS(=O)(=O)C2=CC3=C(C=C2)OCC3)CC(=O)CC4=CC=C(C=C4)/C(=N/O)/N

InChI

InChI=1S/C24H28N4O6S/c25-23(26-31)17-6-4-16(5-7-17)13-19(29)15-28-11-2-1-3-21(24(28)30)27-35(32,33)20-8-9-22-18(14-20)10-12-34-22/h4-9,14,21,27,31H,1-3,10-13,15H2,(H2,25,26)/t21-/m0/s1