(2S)-N-[2-(4-fluorophenyl)ethyl]-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-[2-(4-fluorophenyl)ethyl]-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-naphthalenylsulfonyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-[2-(4-fluorophenyl)ethyl]-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]propionamide Formula: C25H29FN3O3S+ MolecularWeight: 470.579463

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=C(C=C1)F)[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C[C@@H](C(=O)NCCC1=CC=C(C=C1)F)[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H28FN3O3S/c1-19(25(30)27-13-12-20-6-9-23(26)10-7-20)28-14-16-29(17-15-28)33(31,32)24-11-8-21-4-2-3-5-22(21)18-24/h2-11,18-19H,12-17H2,1H3,(H,27,30)/p+1/t19-/m0/s1