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

Systemtic Name: N-[4-(1,3-benzodioxol-5-ylmethyl)-2-ethyl-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]-3-chloranyl-benzenesulfonamide Openeye Name: N-[4-(1,3-benzodioxol-5-ylmethyl)-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-3-chloro-benzenesulfonamide CAS Name: N-[4-(1,3-benzodioxol-5-ylmethyl)-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-3-chlorobenzenesulfonamide IUPAC Name: N-[4-(1,3-benzodioxol-5-ylmethyl)-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-3-chlorobenzenesulfonamide Traditional Name: 3-chloro-N-(2-ethyl-3-keto-4-piperonyl-5H-1,4-benzoxazepin-7-yl)benzenesulfonamide Formula: C25H23ClN2O6S MolecularWeight: 514.97792

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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=C3)Cl)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

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

InChI

InChI=1S/C25H23ClN2O6S/c1-2-21-25(29)28(13-16-6-8-23-24(10-16)33-15-32-23)14-17-11-19(7-9-22(17)34-21)27-35(30,31)20-5-3-4-18(26)12-20/h3-12,21,27H,2,13-15H2,1H3