2-[4-[[2-(phenoxymethyl)benzimidazol-1-yl]methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[[2-(phenoxymethyl)benzimidazol-1-yl]methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[[2-(phenoxymethyl)benzimidazol-1-yl]methyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[[2-(phenoxymethyl)-1-benzimidazolyl]methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[[2-(phenoxymethyl)benzimidazol-1-yl]methyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[[2-(phenoxymethyl)benzimidazol-1-yl]methyl]piperazino]sulfonylbenzonitrile Formula: C26H25N5O3S MolecularWeight: 487.5734

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C3=CC=CC=C3N=C2COC4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5C#N

Isomeric SMILES

C1CN(CCN1CN2C3=CC=CC=C3N=C2COC4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5C#N

InChI

InChI=1S/C26H25N5O3S/c27-18-21-8-4-7-13-25(21)35(32,33)30-16-14-29(15-17-30)20-31-24-12-6-5-11-23(24)28-26(31)19-34-22-9-2-1-3-10-22/h1-13H,14-17,19-20H2