(2S)-N-cyclopentyl-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-cyclopentyl-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-cyclopentyl-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-cyclopentyl-2-[4-[4-(trifluoromethyl)phenyl]sulfonyl-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-cyclopentyl-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-cyclopentyl-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propionamide Formula: C19H27F3N3O3S+ MolecularWeight: 434.49619

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCC1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C[C@@H](C(=O)NC1CCCC1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C19H26F3N3O3S/c1-14(18(26)23-16-4-2-3-5-16)24-10-12-25(13-11-24)29(27,28)17-8-6-15(7-9-17)19(20,21)22/h6-9,14,16H,2-5,10-13H2,1H3,(H,23,26)/p+1/t14-/m0/s1