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

Systemtic Name: 2-cyano-N-[2-ethyl-4-(3-methoxypropyl)-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]benzenesulfonamide Openeye Name: 2-cyano-N-[2-ethyl-4-(3-methoxypropyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]benzenesulfonamide CAS Name: 2-cyano-N-[2-ethyl-4-(3-methoxypropyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]benzenesulfonamide IUPAC Name: 2-cyano-N-[2-ethyl-4-(3-methoxypropyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]benzenesulfonamide Traditional Name: 2-cyano-N-[2-ethyl-3-keto-4-(3-methoxypropyl)-5H-1,4-benzoxazepin-7-yl]benzenesulfonamide Formula: C22H25N3O5S MolecularWeight: 443.516

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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)CCCOC

Isomeric SMILES

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3C#N)CCCOC

InChI

InChI=1S/C22H25N3O5S/c1-3-19-22(26)25(11-6-12-29-2)15-17-13-18(9-10-20(17)30-19)24-31(27,28)21-8-5-4-7-16(21)14-23/h4-5,7-10,13,19,24H,3,6,11-12,15H2,1-2H3