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

Systemtic Name: (2S)-N-(2-propan-2-ylphenyl)-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(2-isopropylphenyl)-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(2-propan-2-ylphenyl)-2-[4-[4-(trifluoromethyl)phenyl]sulfonyl-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(2-propan-2-ylphenyl)-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-o-cumenyl-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propionamide Formula: C23H29F3N3O3S+ MolecularWeight: 484.55487

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)C(C)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1C(C)C)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C23H28F3N3O3S/c1-16(2)20-6-4-5-7-21(20)27-22(30)17(3)28-12-14-29(15-13-28)33(31,32)19-10-8-18(9-11-19)23(24,25)26/h4-11,16-17H,12-15H2,1-3H3,(H,27,30)/p+1/t17-/m0/s1