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

Systemtic Name: N-[4-(1,3-benzodioxol-5-ylmethyl)-2-ethyl-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]-3-fluoranyl-4-methyl-benzenesulfonamide Openeye Name: N-[4-(1,3-benzodioxol-5-ylmethyl)-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-3-fluoro-4-methyl-benzenesulfonamide CAS Name: N-[4-(1,3-benzodioxol-5-ylmethyl)-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-3-fluoro-4-methylbenzenesulfonamide IUPAC Name: N-[4-(1,3-benzodioxol-5-ylmethyl)-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-3-fluoro-4-methylbenzenesulfonamide Traditional Name: N-(2-ethyl-3-keto-4-piperonyl-5H-1,4-benzoxazepin-7-yl)-3-fluoro-4-methyl-benzenesulfonamide Formula: C26H25FN2O6S MolecularWeight: 512.549903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25FN2O6S/c1-3-22-26(30)29(13-17-5-8-24-25(10-17)34-15-33-24)14-18-11-19(6-9-23(18)35-22)28-36(31,32)20-7-4-16(2)21(27)12-20/h4-12,22,28H,3,13-15H2,1-2H3