1-[2-[5-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonylpyridin-2-yl]sulfanylethanoyl]pyrrolidin-2-one

Systemtic Name: 1-[2-[5-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonylpyridin-2-yl]sulfanylethanoyl]pyrrolidin-2-one Openeye Name: 1-[2-[[5-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]sulfanyl]acetyl]pyrrolidin-2-one CAS Name: 1-[1-oxo-2-[[5-[[4-(phenylmethyl)-1-piperazin-4-iumyl]sulfonyl]-2-pyridinyl]thio]ethyl]-2-pyrrolidinone IUPAC Name: 1-[2-[5-(4-benzylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanylacetyl]pyrrolidin-2-one Traditional Name: 1-[2-[[5-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]thio]acetyl]-2-pyrrolidone Formula: C22H27N4O4S2+ MolecularWeight: 475.60418

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CC(=O)N(C1)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H26N4O4S2/c27-21-7-4-10-26(21)22(28)17-31-20-9-8-19(15-23-20)32(29,30)25-13-11-24(12-14-25)16-18-5-2-1-3-6-18/h1-3,5-6,8-9,15H,4,7,10-14,16-17H2/p+1