(2S)-N-ethyl-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-phenyl-propanamide

Systemtic Name: (2S)-N-ethyl-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-phenyl-propanamide Openeye Name: (2S)-N-ethyl-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-phenyl-propanamide CAS Name: (2S)-N-ethyl-2-[4-(3-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-phenylpropanamide IUPAC Name: (2S)-N-ethyl-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-phenylpropanamide Traditional Name: (2S)-N-ethyl-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-phenyl-propionamide Formula: C21H27FN3O3S+ MolecularWeight: 420.520783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26FN3O3S/c1-3-25(19-9-5-4-6-10-19)21(26)17(2)23-12-14-24(15-13-23)29(27,28)20-11-7-8-18(22)16-20/h4-11,16-17H,3,12-15H2,1-2H3/p+1/t17-/m0/s1