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

Systemtic Name: 4-[3-[(3S)-3-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-2-oxidanylidene-azepan-1-yl]-2-oxidanylidene-propyl]-3-fluoranyl-benzenecarboximidamide Openeye Name: 4-[3-[(3S)-3-(2,3-dihydrobenzofuran-5-ylsulfonylamino)-2-oxo-azepan-1-yl]-2-oxo-propyl]-3-fluoro-benzamidine CAS Name: 4-[3-[(3S)-3-(2,3-dihydrobenzofuran-5-ylsulfonylamino)-2-oxo-1-azepanyl]-2-oxopropyl]-3-fluorobenzenecarboximidamide IUPAC Name: 4-[3-[(3S)-3-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-2-oxoazepan-1-yl]-2-oxopropyl]-3-fluorobenzenecarboximidamide Traditional Name: 4-[3-[(3S)-3-(coumaran-5-ylsulfonylamino)-2-keto-azepan-1-yl]-2-keto-propyl]-3-fluoro-benzamidine Formula: C24H27FN4O5S MolecularWeight: 502.558383

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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=C(C=C(C=C4)C(=N)N)F

Isomeric SMILES

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

InChI

InChI=1S/C24H27FN4O5S/c25-20-13-17(23(26)27)5-4-15(20)11-18(30)14-29-9-2-1-3-21(24(29)31)28-35(32,33)19-6-7-22-16(12-19)8-10-34-22/h4-7,12-13,21,28H,1-3,8-11,14H2,(H3,26,27)/t21-/m0/s1