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

Systemtic Name: 2-[[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl]thio]methyl]benzonitrile IUPAC Name: 2-[[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[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=C2C#N)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)CSCC2=CC=CC=C2C#N)S(=O)(=O)C3=CC=CC=C3

InChI

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