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

Systemtic Name: (7-chloranyl-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepin-2-yl)-(4-phenylpiperazin-1-yl)methanone Openeye Name: (7-chloro-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepin-2-yl)-(4-phenylpiperazin-1-yl)methanone CAS Name: (7-chloro-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepin-2-yl)-(4-phenyl-1-piperazinyl)methanone IUPAC Name: (7-chloro-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepin-2-yl)-(4-phenylpiperazin-1-yl)methanone Traditional Name: (7-chloro-5-mesyl-3,4-dihydro-2H-1,5-benzoxazepin-2-yl)-(4-phenylpiperazino)methanone Formula: C21H24ClN3O4S MolecularWeight: 449.95096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O4S/c1-30(27,28)25-10-9-20(29-19-8-7-16(22)15-18(19)25)21(26)24-13-11-23(12-14-24)17-5-3-2-4-6-17/h2-8,15,20H,9-14H2,1H3