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

Systemtic Name: 1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanone Openeye Name: 1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]ethanone CAS Name: 1-[4-(4-methoxyphenyl)sulfonyl-1-piperazinyl]-2-[(2S)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]ethanone IUPAC Name: 1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanone Traditional Name: 1-[4-(4-methoxyphenyl)sulfonylpiperazino]-2-[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]ethanone Formula: C21H28N3O4S2+ MolecularWeight: 450.59472

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C[NH+]3CCCC3C4=CC=CS4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C[NH+]3CCC[C@H]3C4=CC=CS4

InChI

InChI=1S/C21H27N3O4S2/c1-28-17-6-8-18(9-7-17)30(26,27)24-13-11-22(12-14-24)21(25)16-23-10-2-4-19(23)20-5-3-15-29-20/h3,5-9,15,19H,2,4,10-14,16H2,1H3/p+1/t19-/m0/s1