N-[3,5-bis(trifluoromethyl)phenyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide

Systemtic Name: N-[3,5-bis(trifluoromethyl)phenyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Openeye Name: N-[3,5-bis(trifluoromethyl)phenyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide CAS Name: N-[3,5-bis(trifluoromethyl)phenyl]-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzamide IUPAC Name: N-[3,5-bis(trifluoromethyl)phenyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide Traditional Name: N-[3,5-bis(trifluoromethyl)phenyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Formula: C20H20F6N3O3S+ MolecularWeight: 496.446519

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C20H19F6N3O3S/c1-28-5-7-29(8-6-28)33(31,32)17-4-2-3-13(9-17)18(30)27-16-11-14(19(21,22)23)10-15(12-16)20(24,25)26/h2-4,9-12H,5-8H2,1H3,(H,27,30)/p+1