N-[4-(1,3-benzodioxol-5-ylmethyl)-2-ethyl-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]benzenesulfonamide

Systemtic Name: N-[4-(1,3-benzodioxol-5-ylmethyl)-2-ethyl-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]benzenesulfonamide Openeye Name: N-[4-(1,3-benzodioxol-5-ylmethyl)-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl]benzenesulfonamide CAS Name: N-[4-(1,3-benzodioxol-5-ylmethyl)-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl]benzenesulfonamide IUPAC Name: N-[4-(1,3-benzodioxol-5-ylmethyl)-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl]benzenesulfonamide Traditional Name: N-(2-ethyl-3-keto-4-piperonyl-5H-1,4-benzoxazepin-7-yl)benzenesulfonamide Formula: C25H24N2O6S MolecularWeight: 480.53286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H24N2O6S/c1-2-21-25(28)27(14-17-8-10-23-24(12-17)32-16-31-23)15-18-13-19(9-11-22(18)33-21)26-34(29,30)20-6-4-3-5-7-20/h3-13,21,26H,2,14-16H2,1H3