4-[[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[2-[4-(2-naphthylsulfonyl)piperazin-1-yl]-2-oxo-ethyl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[2-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-2-oxoethyl]thio]methyl]benzonitrile IUPAC Name: 4-[[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[2-keto-2-[4-(2-naphthylsulfonyl)piperazino]ethyl]thio]methyl]benzonitrile Formula: C24H23N3O3S2 MolecularWeight: 465.58772

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSCC2=CC=C(C=C2)C#N)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CCN1C(=O)CSCC2=CC=C(C=C2)C#N)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C24H23N3O3S2/c25-16-19-5-7-20(8-6-19)17-31-18-24(28)26-11-13-27(14-12-26)32(29,30)23-10-9-21-3-1-2-4-22(21)15-23/h1-10,15H,11-14,17-18H2