3-[4-(2,6-dimethylphenyl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 3-[4-(2,6-dimethylphenyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 3-[4-(2,6-dimethylphenyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 3-[[4-(2,6-dimethylphenyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 3-[4-(2,6-dimethylphenyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 3-[4-(2,6-dimethylphenyl)piperazino]sulfonylbenzonitrile Formula: C19H21N3O2S MolecularWeight: 355.45394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O2S/c1-15-5-3-6-16(2)19(15)21-9-11-22(12-10-21)25(23,24)18-8-4-7-17(13-18)14-20/h3-8,13H,9-12H2,1-2H3