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

Systemtic Name: (2S)-N-(1-adamantyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(1-adamantyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(1-adamantyl)-2-[4-(3-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(1-adamantyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(1-adamantyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propionamide Formula: C23H33FN3O3S+ MolecularWeight: 450.589823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)[NH+]4CCN(CC4)S(=O)(=O)C5=CC=CC(=C5)F

Isomeric SMILES

C[C@@H](C(=O)NC12CC3CC(C1)CC(C3)C2)[NH+]4CCN(CC4)S(=O)(=O)C5=CC=CC(=C5)F

InChI

InChI=1S/C23H32FN3O3S/c1-16(22(28)25-23-13-17-9-18(14-23)11-19(10-17)15-23)26-5-7-27(8-6-26)31(29,30)21-4-2-3-20(24)12-21/h2-4,12,16-19H,5-11,13-15H2,1H3,(H,25,28)/p+1/t16-,17?,18?,19?,23?/m0/s1