2-[4-[2-(3-propan-2-ylphenoxy)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-(3-propan-2-ylphenoxy)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-(3-isopropylphenoxy)acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[1-oxo-2-(3-propan-2-ylphenoxy)ethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-(3-propan-2-ylphenoxy)acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-(3-isopropylphenoxy)acetyl]piperazino]sulfonylbenzonitrile Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O4S/c1-17(2)18-7-5-8-20(14-18)29-16-22(26)24-10-12-25(13-11-24)30(27,28)21-9-4-3-6-19(21)15-23/h3-9,14,17H,10-13,16H2,1-2H3