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

Systemtic Name: (5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepin-2-yl)-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-(5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepin-2-yl)methanone CAS Name: (5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepin-2-yl)-[4-(phenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-(5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepin-2-yl)methanone Traditional Name: (4-benzylpiperazino)-(5-mesyl-3,4-dihydro-2H-1,5-benzoxazepin-2-yl)methanone Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(OC2=CC=CC=C21)C(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)N1CCC(OC2=CC=CC=C21)C(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H27N3O4S/c1-30(27,28)25-12-11-21(29-20-10-6-5-9-19(20)25)22(26)24-15-13-23(14-16-24)17-18-7-3-2-4-8-18/h2-10,21H,11-17H2,1H3