5-[2-oxidanylidene-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one

Systemtic Name: 5-[2-oxidanylidene-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one Openeye Name: 5-[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxo-ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one CAS Name: 5-[2-oxo-2-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one IUPAC Name: 5-[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]-2,3-dihydro-1,5-benzoxazepin-4-one Traditional Name: 5-[2-(4-benzylsulfonylpiperazino)-2-keto-ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC=C2N(C1=O)CC(=O)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1COC2=CC=CC=C2N(C1=O)CC(=O)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C22H25N3O5S/c26-21-10-15-30-20-9-5-4-8-19(20)25(21)16-22(27)23-11-13-24(14-12-23)31(28,29)17-18-6-2-1-3-7-18/h1-9H,10-17H2