2-[4-[2-(4-fluoranylphenoxy)-2-methyl-propanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-(4-fluoranylphenoxy)-2-methyl-propanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-(4-fluorophenoxy)-2-methyl-propanoyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-(4-fluorophenoxy)-2-methyl-1-oxopropyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-(4-fluorophenoxy)-2-methyl-propanoyl]piperazino]sulfonylbenzonitrile Formula: C21H22FN3O4S MolecularWeight: 431.480483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C#N)OC3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C#N)OC3=CC=C(C=C3)F

InChI

InChI=1S/C21H22FN3O4S/c1-21(2,29-18-9-7-17(22)8-10-18)20(26)24-11-13-25(14-12-24)30(27,28)19-6-4-3-5-16(19)15-23/h3-10H,11-14H2,1-2H3