4-[[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[2-oxo-2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]thio]methyl]benzonitrile IUPAC Name: 4-[[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[2-keto-2-(4-tosylpiperazino)ethyl]thio]methyl]benzonitrile Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSCC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H23N3O3S2/c1-17-2-8-20(9-3-17)29(26,27)24-12-10-23(11-13-24)21(25)16-28-15-19-6-4-18(14-22)5-7-19/h2-9H,10-13,15-16H2,1H3