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

Systemtic Name: 4-[4-[2,4-bis(methylsulfonyl)phenyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[2,4-bis(methylsulfonyl)phenyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[2,4-bis(methylsulfonyl)phenyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[2,4-bis(methylsulfonyl)phenyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[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=C(C=C3)C#N)S(=O)(=O)C

Isomeric SMILES

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

InChI

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