(3R)-3-[5-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonylpyridin-2-yl]sulfanyloxolan-2-one

Systemtic Name: (3R)-3-[5-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonylpyridin-2-yl]sulfanyloxolan-2-one Openeye Name: (3R)-3-[[5-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]sulfanyl]tetrahydrofuran-2-one CAS Name: (3R)-3-[[5-[[4-(phenylmethyl)-1-piperazin-4-iumyl]sulfonyl]-2-pyridinyl]thio]-2-oxolanone IUPAC Name: (3R)-3-[5-(4-benzylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanyloxolan-2-one Traditional Name: (3R)-3-[[5-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]thio]tetrahydrofuran-2-one Formula: C20H24N3O4S2+ MolecularWeight: 434.55226

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(=O)C1SC2=NC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C1COC(=O)[C@@H]1SC2=NC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C20H23N3O4S2/c24-20-18(8-13-27-20)28-19-7-6-17(14-21-19)29(25,26)23-11-9-22(10-12-23)15-16-4-2-1-3-5-16/h1-7,14,18H,8-13,15H2/p+1/t18-/m1/s1