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

Systemtic Name: (7-chloranyl-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone Openeye Name: (7-chloro-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone CAS Name: (7-chloro-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepin-2-yl)-[4-(4-methoxyphenyl)-1-piperazinyl]methanone IUPAC Name: (7-chloro-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone Traditional Name: (7-chloro-5-mesyl-3,4-dihydro-2H-1,5-benzoxazepin-2-yl)-[4-(4-methoxyphenyl)piperazino]methanone Formula: C22H26ClN3O5S MolecularWeight: 479.97694

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3CCN(C4=C(O3)C=CC(=C4)Cl)S(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3CCN(C4=C(O3)C=CC(=C4)Cl)S(=O)(=O)C

InChI

InChI=1S/C22H26ClN3O5S/c1-30-18-6-4-17(5-7-18)24-11-13-25(14-12-24)22(27)21-9-10-26(32(2,28)29)19-15-16(23)3-8-20(19)31-21/h3-8,15,21H,9-14H2,1-2H3