4-[[2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]carbonylphenyl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]carbonylphenyl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[2-(4-benzylsulfonylpiperazine-1-carbonyl)phenyl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[2-[oxo-[4-(phenylmethyl)sulfonyl-1-piperazinyl]methyl]phenyl]thio]methyl]benzonitrile IUPAC Name: 4-[[2-(4-benzylsulfonylpiperazine-1-carbonyl)phenyl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[2-(4-benzylsulfonylpiperazine-1-carbonyl)phenyl]thio]methyl]benzonitrile Formula: C26H25N3O3S2 MolecularWeight: 491.625

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=CC=C2SCC3=CC=C(C=C3)C#N)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=CC=C2SCC3=CC=C(C=C3)C#N)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C26H25N3O3S2/c27-18-21-10-12-22(13-11-21)19-33-25-9-5-4-8-24(25)26(30)28-14-16-29(17-15-28)34(31,32)20-23-6-2-1-3-7-23/h1-13H,14-17,19-20H2