(2S)-2-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide

Systemtic Name: (2S)-2-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide Openeye Name: (2S)-2-[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide CAS Name: (2S)-2-[4-[(5-chloro-2-thiophenyl)sulfonyl]-1-piperazin-1-iumyl]-N-[2-(trifluoromethyl)phenyl]propanamide IUPAC Name: (2S)-2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide Traditional Name: (2S)-2-[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]propionamide Formula: C18H20ClF3N3O3S2+ MolecularWeight: 482.94791

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C(F)(F)F)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1C(F)(F)F)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C18H19ClF3N3O3S2/c1-12(17(26)23-14-5-3-2-4-13(14)18(20,21)22)24-8-10-25(11-9-24)30(27,28)16-7-6-15(19)29-16/h2-7,12H,8-11H2,1H3,(H,23,26)/p+1/t12-/m0/s1