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

Systemtic Name: 2-[4-[2-(2,4,6-trimethylphenoxy)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-(2,4,6-trimethylphenoxy)acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[1-oxo-2-(2,4,6-trimethylphenoxy)ethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-(2,4,6-trimethylphenoxy)acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-(2,4,6-trimethylphenoxy)acetyl]piperazino]sulfonylbenzonitrile Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O4S/c1-16-12-17(2)22(18(3)13-16)29-15-21(26)24-8-10-25(11-9-24)30(27,28)20-7-5-4-6-19(20)14-23/h4-7,12-13H,8-11,15H2,1-3H3