1-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-yl]-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanone

Systemtic Name: 1-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-yl]-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanone Openeye Name: 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]ethanone CAS Name: 1-[4-(4-acetylphenyl)sulfonyl-1-piperazinyl]-2-[(2S)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]ethanone IUPAC Name: 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanone Traditional Name: 1-[4-(4-acetylphenyl)sulfonylpiperazino]-2-[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]ethanone Formula: C22H28N3O4S2+ MolecularWeight: 462.60542

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C[NH+]3CCCC3C4=CC=CS4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C[NH+]3CCC[C@H]3C4=CC=CS4

InChI

InChI=1S/C22H27N3O4S2/c1-17(26)18-6-8-19(9-7-18)31(28,29)25-13-11-23(12-14-25)22(27)16-24-10-2-4-20(24)21-5-3-15-30-21/h3,5-9,15,20H,2,4,10-14,16H2,1H3/p+1/t20-/m0/s1