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

Systemtic Name: 5-[2-oxidanylidene-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one Openeye Name: 5-[2-oxo-2-[4-(2-thienylsulfonyl)piperazin-1-yl]ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one CAS Name: 5-[2-oxo-2-(4-thiophen-2-ylsulfonyl-1-piperazinyl)ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one IUPAC Name: 5-[2-oxo-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one Traditional Name: 5-[2-keto-2-[4-(2-thienylsulfonyl)piperazino]ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one Formula: C19H21N3O5S2 MolecularWeight: 435.51714

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC=C2N(C1=O)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1COC2=CC=CC=C2N(C1=O)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C19H21N3O5S2/c23-17-7-12-27-16-5-2-1-4-15(16)22(17)14-18(24)20-8-10-21(11-9-20)29(25,26)19-6-3-13-28-19/h1-6,13H,7-12,14H2