2-[4-[(2R)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-[(2R)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[(2R)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carbonyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[[(2R)-1-(4-fluorophenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[(2R)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carbonyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[(2R)-1-(4-fluorophenyl)sulfonylprolyl]piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C21H30FN4O4S+ MolecularWeight: 453.550703

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3CCCN3S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)[C@H]3CCCN3S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H29FN4O4S/c22-17-5-7-18(8-6-17)31(29,30)26-11-3-4-19(26)21(28)25-14-12-23(13-15-25)16-20(27)24-9-1-2-10-24/h5-8,19H,1-4,9-16H2/p+1/t19-/m1/s1