(7-chloranyl-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepin-2-yl)-[4-(phenylmethyl)piperazin-1-yl]methanone

Systemtic Name: (7-chloranyl-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepin-2-yl)-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-(7-chloro-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepin-2-yl)methanone CAS Name: (7-chloro-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepin-2-yl)-[4-(phenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-(7-chloro-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepin-2-yl)methanone Traditional Name: (4-benzylpiperazino)-(7-chloro-5-mesyl-3,4-dihydro-2H-1,5-benzoxazepin-2-yl)methanone Formula: C22H26ClN3O4S MolecularWeight: 463.97754

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(OC2=C1C=C(C=C2)Cl)C(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)N1CCC(OC2=C1C=C(C=C2)Cl)C(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H26ClN3O4S/c1-31(28,29)26-10-9-21(30-20-8-7-18(23)15-19(20)26)22(27)25-13-11-24(12-14-25)16-17-5-3-2-4-6-17/h2-8,15,21H,9-14,16H2,1H3