azepan-1-yl-(7-chloranyl-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepin-2-yl)methanone

Systemtic Name: azepan-1-yl-(7-chloranyl-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepin-2-yl)methanone Openeye Name: azepan-1-yl-(7-chloro-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepin-2-yl)methanone CAS Name: 1-azepanyl-(7-chloro-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepin-2-yl)methanone IUPAC Name: azepan-1-yl-(7-chloro-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepin-2-yl)methanone Traditional Name: azepan-1-yl-(7-chloro-5-mesyl-3,4-dihydro-2H-1,5-benzoxazepin-2-yl)methanone Formula: C17H23ClN2O4S MolecularWeight: 386.89352

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(OC2=C1C=C(C=C2)Cl)C(=O)N3CCCCCC3

Isomeric SMILES

CS(=O)(=O)N1CCC(OC2=C1C=C(C=C2)Cl)C(=O)N3CCCCCC3

InChI

InChI=1S/C17H23ClN2O4S/c1-25(22,23)20-11-8-16(17(21)19-9-4-2-3-5-10-19)24-15-7-6-13(18)12-14(15)20/h6-7,12,16H,2-5,8-11H2,1H3