N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-(4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-5-yl)ethanamide

Systemtic Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-(4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-5-yl)ethanamide Openeye Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide CAS Name: N-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide IUPAC Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide Traditional Name: 2-(4-keto-2,3-dihydro-1,5-benzoxazepin-5-yl)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]acetamide Formula: C22H27N4O5S+ MolecularWeight: 459.53858

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3C(=O)CCOC4=CC=CC=C43

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3C(=O)CCOC4=CC=CC=C43

InChI

InChI=1S/C22H26N4O5S/c1-24-11-13-25(14-12-24)32(29,30)18-8-6-17(7-9-18)23-21(27)16-26-19-4-2-3-5-20(19)31-15-10-22(26)28/h2-9H,10-16H2,1H3,(H,23,27)/p+1