3-[[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl]thio]methyl]benzonitrile IUPAC Name: 3-[[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[2-(4-besylpiperazino)-2-keto-ethyl]thio]methyl]benzonitrile Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSCC2=CC=CC(=C2)C#N)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)CSCC2=CC=CC(=C2)C#N)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H21N3O3S2/c21-14-17-5-4-6-18(13-17)15-27-16-20(24)22-9-11-23(12-10-22)28(25,26)19-7-2-1-3-8-19/h1-8,13H,9-12,15-16H2