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

Systemtic Name: N-[4-(1,3-benzodioxol-5-ylmethyl)-2-ethyl-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]-2-cyano-benzenesulfonamide Openeye Name: N-[4-(1,3-benzodioxol-5-ylmethyl)-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-2-cyano-benzenesulfonamide CAS Name: N-[4-(1,3-benzodioxol-5-ylmethyl)-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-2-cyanobenzenesulfonamide IUPAC Name: N-[4-(1,3-benzodioxol-5-ylmethyl)-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-2-cyanobenzenesulfonamide Traditional Name: 2-cyano-N-(2-ethyl-3-keto-4-piperonyl-5H-1,4-benzoxazepin-7-yl)benzenesulfonamide Formula: C26H23N3O6S MolecularWeight: 505.54232

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3C#N)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3C#N)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H23N3O6S/c1-2-21-26(30)29(14-17-7-9-23-24(11-17)34-16-33-23)15-19-12-20(8-10-22(19)35-21)28-36(31,32)25-6-4-3-5-18(25)13-27/h3-12,21,28H,2,14-16H2,1H3