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

Systemtic Name: [4-(2-methoxyphenyl)piperazin-1-yl]-(5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepin-2-yl)methanone Openeye Name: [4-(2-methoxyphenyl)piperazin-1-yl]-(5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepin-2-yl)methanone CAS Name: [4-(2-methoxyphenyl)-1-piperazinyl]-(5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepin-2-yl)methanone IUPAC Name: [4-(2-methoxyphenyl)piperazin-1-yl]-(5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepin-2-yl)methanone Traditional Name: (5-mesyl-3,4-dihydro-2H-1,5-benzoxazepin-2-yl)-[4-(2-methoxyphenyl)piperazino]methanone Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(=O)C3CCN(C4=CC=CC=C4O3)S(=O)(=O)C

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=O)C3CCN(C4=CC=CC=C4O3)S(=O)(=O)C

InChI

InChI=1S/C22H27N3O5S/c1-29-19-9-5-3-7-17(19)23-13-15-24(16-14-23)22(26)21-11-12-25(31(2,27)28)18-8-4-6-10-20(18)30-21/h3-10,21H,11-16H2,1-2H3