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

Systemtic Name: 4-[2-oxidanylidene-3-[(3S)-2-oxidanylidene-3-(phenylsulfonylamino)azepan-1-yl]propyl]benzenecarboximidamide Openeye Name: 4-[3-[(3S)-3-(benzenesulfonamido)-2-oxo-azepan-1-yl]-2-oxo-propyl]benzamidine CAS Name: 4-[3-[(3S)-3-(benzenesulfonamido)-2-oxo-1-azepanyl]-2-oxopropyl]benzenecarboximidamide IUPAC Name: 4-[3-[(3S)-3-(benzenesulfonamido)-2-oxoazepan-1-yl]-2-oxopropyl]benzenecarboximidamide Traditional Name: 4-[3-[(3S)-3-(benzenesulfonamido)-2-keto-azepan-1-yl]-2-keto-propyl]benzamidine Formula: C22H26N4O4S MolecularWeight: 442.53124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O4S/c23-21(24)17-11-9-16(10-12-17)14-18(27)15-26-13-5-4-8-20(22(26)28)25-31(29,30)19-6-2-1-3-7-19/h1-3,6-7,9-12,20,25H,4-5,8,13-15H2,(H3,23,24)/t20-/m0/s1