N-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide

Systemtic Name: N-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide Openeye Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide CAS Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(4-methylsulfonyl-1-piperazinyl)methyl]benzamide IUPAC Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide Traditional Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(4-mesylpiperazino)methyl]benzamide Formula: C20H21ClF3N3O3S MolecularWeight: 475.91225

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)CC2=CC=CC(=C2)C(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)CC2=CC=CC(=C2)C(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C20H21ClF3N3O3S/c1-31(29,30)27-9-7-26(8-10-27)13-14-3-2-4-15(11-14)19(28)25-16-5-6-18(21)17(12-16)20(22,23)24/h2-6,11-12H,7-10,13H2,1H3,(H,25,28)