N-(6-oxidanylidene-5H-benzo[b][1,4]benzoxazepin-8-yl)-4-propyl-benzenesulfonamide

Systemtic Name: N-(6-oxidanylidene-5H-benzo[b][1,4]benzoxazepin-8-yl)-4-propyl-benzenesulfonamide Openeye Name: N-(6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-4-propyl-benzenesulfonamide CAS Name: N-(6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-4-propylbenzenesulfonamide IUPAC Name: N-(6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-4-propylbenzenesulfonamide Traditional Name: N-(6-keto-5H-benzo[b][1,4]benzoxazepin-8-yl)-4-propyl-benzenesulfonamide Formula: C22H20N2O4S MolecularWeight: 408.4702

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OC4=CC=CC=C4NC3=O

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OC4=CC=CC=C4NC3=O

InChI

InChI=1S/C22H20N2O4S/c1-2-5-15-8-11-17(12-9-15)29(26,27)24-16-10-13-20-18(14-16)22(25)23-19-6-3-4-7-21(19)28-20/h3-4,6-14,24H,2,5H2,1H3,(H,23,25)