2-[4-[2,4-bis(methylsulfonyl)phenyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2,4-bis(methylsulfonyl)phenyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2,4-bis(methylsulfonyl)phenyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2,4-bis(methylsulfonyl)phenyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2,4-bis(methylsulfonyl)phenyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(2,4-dimesylphenyl)piperazino]sulfonylbenzonitrile Formula: C19H21N3O6S3 MolecularWeight: 483.58154

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)S(=O)(=O)C

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)S(=O)(=O)C

InChI

InChI=1S/C19H21N3O6S3/c1-29(23,24)16-7-8-17(19(13-16)30(2,25)26)21-9-11-22(12-10-21)31(27,28)18-6-4-3-5-15(18)14-20/h3-8,13H,9-12H2,1-2H3