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

Systemtic Name: N-(3-methylphenyl)-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanamide Openeye Name: N-(m-tolyl)-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanamide CAS Name: N-(3-methylphenyl)-2-[4-[3-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]propanamide IUPAC Name: N-(3-methylphenyl)-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanamide Traditional Name: N-(m-tolyl)-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazino]propionamide Formula: C21H24F3N3O3S MolecularWeight: 455.49377

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C(C)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C21H24F3N3O3S/c1-15-5-3-7-18(13-15)25-20(28)16(2)26-9-11-27(12-10-26)31(29,30)19-8-4-6-17(14-19)21(22,23)24/h3-8,13-14,16H,9-12H2,1-2H3,(H,25,28)