N-(3-chloranyl-6-oxidanylidene-5H-benzo[b][1,4]benzoxazepin-8-yl)-4-propyl-benzenesulfonamide

Systemtic Name: N-(3-chloranyl-6-oxidanylidene-5H-benzo[b][1,4]benzoxazepin-8-yl)-4-propyl-benzenesulfonamide Openeye Name: N-(3-chloro-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-4-propyl-benzenesulfonamide CAS Name: N-(3-chloro-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-4-propylbenzenesulfonamide IUPAC Name: N-(3-chloro-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-4-propylbenzenesulfonamide Traditional Name: N-(3-chloro-6-keto-5H-benzo[b][1,4]benzoxazepin-8-yl)-4-propyl-benzenesulfonamide Formula: C22H19ClN2O4S MolecularWeight: 442.91526

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OC4=C(C=C(C=C4)Cl)NC3=O

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OC4=C(C=C(C=C4)Cl)NC3=O

InChI

InChI=1S/C22H19ClN2O4S/c1-2-3-14-4-8-17(9-5-14)30(27,28)25-16-7-11-20-18(13-16)22(26)24-19-12-15(23)6-10-21(19)29-20/h4-13,25H,2-3H2,1H3,(H,24,26)