4-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[(4-mesitylsulfonylpiperazino)methyl]benzonitrile Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O2S/c1-16-12-17(2)21(18(3)13-16)27(25,26)24-10-8-23(9-11-24)15-20-6-4-19(14-22)5-7-20/h4-7,12-13H,8-11,15H2,1-3H3