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

Systemtic Name: (2S)-N-cyclohexyl-N-ethyl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-cyclohexyl-N-ethyl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-cyclohexyl-N-ethyl-2-[4-(2-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-cyclohexyl-N-ethyl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-cyclohexyl-N-ethyl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propionamide Formula: C21H33FN3O3S+ MolecularWeight: 426.568423

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCCCC1)C(=O)C(C)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F

Isomeric SMILES

CCN(C1CCCCC1)C(=O)[C@H](C)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F

InChI

InChI=1S/C21H32FN3O3S/c1-3-25(18-9-5-4-6-10-18)21(26)17(2)23-13-15-24(16-14-23)29(27,28)20-12-8-7-11-19(20)22/h7-8,11-12,17-18H,3-6,9-10,13-16H2,1-2H3/p+1/t17-/m0/s1