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

Systemtic Name: N-(2-methylphenyl)-2-[4-[4-(trifluoromethyloxy)phenyl]sulfonylpiperazin-1-yl]propanamide Openeye Name: N-(o-tolyl)-2-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]propanamide CAS Name: N-(2-methylphenyl)-2-[4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-piperazinyl]propanamide IUPAC Name: N-(2-methylphenyl)-2-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]propanamide Traditional Name: N-(o-tolyl)-2-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazino]propionamide Formula: C21H24F3N3O4S MolecularWeight: 471.49317

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(C)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C(C)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C21H24F3N3O4S/c1-15-5-3-4-6-19(15)25-20(28)16(2)26-11-13-27(14-12-26)32(29,30)18-9-7-17(8-10-18)31-21(22,23)24/h3-10,16H,11-14H2,1-2H3,(H,25,28)