4-[2-oxidanylidene-3-[(3S)-2-oxidanylidene-3-[(phenylmethyl)sulfonylamino]azepan-1-yl]propyl]benzenecarboximidamide

Systemtic Name: 4-[2-oxidanylidene-3-[(3S)-2-oxidanylidene-3-[(phenylmethyl)sulfonylamino]azepan-1-yl]propyl]benzenecarboximidamide Openeye Name: 4-[3-[(3S)-3-(benzylsulfonylamino)-2-oxo-azepan-1-yl]-2-oxo-propyl]benzamidine CAS Name: 4-[2-oxo-3-[(3S)-2-oxo-3-[(phenylmethyl)sulfonylamino]-1-azepanyl]propyl]benzenecarboximidamide IUPAC Name: 4-[3-[(3S)-3-(benzylsulfonylamino)-2-oxoazepan-1-yl]-2-oxopropyl]benzenecarboximidamide Traditional Name: 4-[3-[(3S)-3-(benzylsulfonylamino)-2-keto-azepan-1-yl]-2-keto-propyl]benzamidine Formula: C23H28N4O4S MolecularWeight: 456.55782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)NS(=O)(=O)CC2=CC=CC=C2)CC(=O)CC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1CCN(C(=O)[C@H](C1)NS(=O)(=O)CC2=CC=CC=C2)CC(=O)CC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C23H28N4O4S/c24-22(25)19-11-9-17(10-12-19)14-20(28)15-27-13-5-4-8-21(23(27)29)26-32(30,31)16-18-6-2-1-3-7-18/h1-3,6-7,9-12,21,26H,4-5,8,13-16H2,(H3,24,25)/t21-/m0/s1