3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]benzamide

Systemtic Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]benzamide Openeye Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]benzamide CAS Name: 3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]benzamide IUPAC Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]benzamide Traditional Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]benzamide Formula: C19H27F3N3O3S+ MolecularWeight: 434.49619

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3CCCCC3C(F)(F)F

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N[C@H]3CCCC[C@H]3C(F)(F)F

InChI

InChI=1S/C19H26F3N3O3S/c1-24-9-11-25(12-10-24)29(27,28)15-6-4-5-14(13-15)18(26)23-17-8-3-2-7-16(17)19(20,21)22/h4-6,13,16-17H,2-3,7-12H2,1H3,(H,23,26)/p+1/t16-,17+/m1/s1