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

Systemtic Name: morpholin-4-yl-[4-(phenylmethyl)sulfonyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methanone Openeye Name: (4-benzylsulfonyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)-morpholino-methanone CAS Name: 4-morpholinyl-[4-(phenylmethyl)sulfonyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methanone IUPAC Name: (4-benzylsulfonyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)-morpholin-4-ylmethanone Traditional Name: (4-benzylsulfonyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)-morpholino-methanone Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C2=CC3=C(C=C2)OCCN(C3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1COCCN1C(=O)C2=CC3=C(C=C2)OCCN(C3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C21H24N2O5S/c24-21(22-8-11-27-12-9-22)18-6-7-20-19(14-18)15-23(10-13-28-20)29(25,26)16-17-4-2-1-3-5-17/h1-7,14H,8-13,15-16H2