4-[[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]sulfonylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]sulfonylmethyl]benzenecarbonitrile Openeye Name: 4-[[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]sulfonylmethyl]benzonitrile CAS Name: 4-[[2-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]sulfonylmethyl]benzonitrile IUPAC Name: 4-[[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfonylmethyl]benzonitrile Traditional Name: 4-[[2-[4-(2,5-dimethylphenyl)sulfonylpiperazino]-2-keto-ethyl]sulfonylmethyl]benzonitrile Formula: C22H25N3O5S2 MolecularWeight: 475.581

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CS(=O)(=O)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CS(=O)(=O)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H25N3O5S2/c1-17-3-4-18(2)21(13-17)32(29,30)25-11-9-24(10-12-25)22(26)16-31(27,28)15-20-7-5-19(14-23)6-8-20/h3-8,13H,9-12,15-16H2,1-2H3