4-[[4-[3-(3-oxidanylidenepiperazin-1-yl)sulfonylphenyl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[3-(3-oxidanylidenepiperazin-1-yl)sulfonylphenyl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[3-(3-oxopiperazin-1-yl)sulfonylbenzoyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[oxo-[3-[(3-oxo-1-piperazinyl)sulfonyl]phenyl]methyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[3-(3-oxopiperazin-1-yl)sulfonylbenzoyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[3-(3-ketopiperazino)sulfonylbenzoyl]piperazino]methyl]benzonitrile Formula: C23H25N5O4S MolecularWeight: 467.5407

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CC(=O)N1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H25N5O4S/c24-15-18-4-6-19(7-5-18)16-26-10-12-27(13-11-26)23(30)20-2-1-3-21(14-20)33(31,32)28-9-8-25-22(29)17-28/h1-7,14H,8-13,16-17H2,(H,25,29)