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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)[NH+]4CCN(CC4)S(=O)(=O)C5=CC=CC=C5F

Isomeric SMILES

C[C@@H](C(=O)NC12CC3CC(C1)CC(C3)C2)[NH+]4CCN(CC4)S(=O)(=O)C5=CC=CC=C5F

InChI

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