3-[(7-morpholin-4-ylcarbonyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)sulfonyl]benzenecarbonitrile

Systemtic Name: 3-[(7-morpholin-4-ylcarbonyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)sulfonyl]benzenecarbonitrile Openeye Name: 3-[[7-(morpholine-4-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]sulfonyl]benzonitrile CAS Name: 3-[[7-[4-morpholinyl(oxo)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]sulfonyl]benzonitrile IUPAC Name: 3-[[7-(morpholine-4-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]sulfonyl]benzonitrile Traditional Name: 3-[[7-(morpholine-4-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]sulfonyl]benzonitrile Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C2=CC3=C(C=C2)OCCN(C3)S(=O)(=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

C1COCCN1C(=O)C2=CC3=C(C=C2)OCCN(C3)S(=O)(=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C21H21N3O5S/c22-14-16-2-1-3-19(12-16)30(26,27)24-8-11-29-20-5-4-17(13-18(20)15-24)21(25)23-6-9-28-10-7-23/h1-5,12-13H,6-11,15H2