(2R)-N-cyclopropyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-cyclopropyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-cyclopropyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-cyclopropyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonyl-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-cyclopropyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-cyclopropyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propionamide Formula: C17H23F3N3O3S+ MolecularWeight: 406.44303

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C[C@H](C(=O)NC1CC1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C17H22F3N3O3S/c1-12(16(24)21-14-5-6-14)22-7-9-23(10-8-22)27(25,26)15-4-2-3-13(11-15)17(18,19)20/h2-4,11-12,14H,5-10H2,1H3,(H,21,24)/p+1/t12-/m1/s1