2-[4-[2-(3,5-dimethylphenoxy)ethyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-(3,5-dimethylphenoxy)ethyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-(3,5-dimethylphenoxy)ethyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-(3,5-dimethylphenoxy)ethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-(3,5-dimethylphenoxy)ethyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-(3,5-dimethylphenoxy)ethyl]piperazino]sulfonylbenzonitrile Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)C

InChI

InChI=1S/C21H25N3O3S/c1-17-13-18(2)15-20(14-17)27-12-11-23-7-9-24(10-8-23)28(25,26)21-6-4-3-5-19(21)16-22/h3-6,13-15H,7-12H2,1-2H3