N-[2-(4-methylpiperazin-1-yl)-5-methylsulfonyl-phenyl]-4-(trifluoromethyl)benzamide

Systemtic Name: N-[2-(4-methylpiperazin-1-yl)-5-methylsulfonyl-phenyl]-4-(trifluoromethyl)benzamide Openeye Name: N-[2-(4-methylpiperazin-1-yl)-5-methylsulfonyl-phenyl]-4-(trifluoromethyl)benzamide CAS Name: N-[2-(4-methyl-1-piperazinyl)-5-methylsulfonylphenyl]-4-(trifluoromethyl)benzamide IUPAC Name: N-[2-(4-methylpiperazin-1-yl)-5-methylsulfonylphenyl]-4-(trifluoromethyl)benzamide Traditional Name: N-[5-mesyl-2-(4-methylpiperazino)phenyl]-4-(trifluoromethyl)benzamide Formula: C20H22F3N3O3S MolecularWeight: 441.46719

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)C)NC(=O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)C)NC(=O)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C20H22F3N3O3S/c1-25-9-11-26(12-10-25)18-8-7-16(30(2,28)29)13-17(18)24-19(27)14-3-5-15(6-4-14)20(21,22)23/h3-8,13H,9-12H2,1-2H3,(H,24,27)