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

Systemtic Name: 4-[3-[(3S)-3-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-2-oxidanylidene-azepan-1-yl]-2-oxidanylidene-propyl]benzenecarboximidamide Openeye Name: 4-[3-[(3S)-3-(2,3-dihydrobenzofuran-5-ylsulfonylamino)-2-oxo-azepan-1-yl]-2-oxo-propyl]benzamidine CAS Name: 4-[3-[(3S)-3-(2,3-dihydrobenzofuran-5-ylsulfonylamino)-2-oxo-1-azepanyl]-2-oxopropyl]benzenecarboximidamide IUPAC Name: 4-[3-[(3S)-3-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-2-oxoazepan-1-yl]-2-oxopropyl]benzenecarboximidamide Traditional Name: 4-[3-[(3S)-3-(coumaran-5-ylsulfonylamino)-2-keto-azepan-1-yl]-2-keto-propyl]benzamidine Formula: C24H28N4O5S MolecularWeight: 484.56792

Click to see the large picture

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(=N)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)N

InChI

InChI=1S/C24H28N4O5S/c25-23(26)17-6-4-16(5-7-17)13-19(29)15-28-11-2-1-3-21(24(28)30)27-34(31,32)20-8-9-22-18(14-20)10-12-33-22/h4-9,14,21,27H,1-3,10-13,15H2,(H3,25,26)/t21-/m0/s1