2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazino]sulfonylbenzonitrile Formula: C19H21N3O4S2 MolecularWeight: 419.51774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)C

InChI

InChI=1S/C19H21N3O4S2/c1-15-7-8-18(16(2)13-15)27(23,24)21-9-11-22(12-10-21)28(25,26)19-6-4-3-5-17(19)14-20/h3-8,13H,9-12H2,1-2H3