N-(3-cyanophenyl)-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanamide

Systemtic Name: N-(3-cyanophenyl)-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanamide Openeye Name: N-(3-cyanophenyl)-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanamide CAS Name: N-(3-cyanophenyl)-2-[4-[2-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]propanamide IUPAC Name: N-(3-cyanophenyl)-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanamide Traditional Name: N-(3-cyanophenyl)-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazino]propionamide Formula: C21H21F3N4O3S MolecularWeight: 466.47665

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C#N)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)C#N)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C21H21F3N4O3S/c1-15(20(29)26-17-6-4-5-16(13-17)14-25)27-9-11-28(12-10-27)32(30,31)19-8-3-2-7-18(19)21(22,23)24/h2-8,13,15H,9-12H2,1H3,(H,26,29)