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

Systemtic Name: 4-[4-(2,6-dimethylphenyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-(2,6-dimethylphenyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-(2,6-dimethylphenyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-(2,6-dimethylphenyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[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=C(C=C3)C#N

Isomeric SMILES

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

InChI

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