1-[4-[2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanoyl]phenyl]pyrrolidin-2-one

Systemtic Name: 1-[4-[2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanoyl]phenyl]pyrrolidin-2-one Openeye Name: 1-[4-[2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetyl]phenyl]pyrrolidin-2-one CAS Name: 1-[4-[1-oxo-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)ethyl]phenyl]-2-pyrrolidinone IUPAC Name: 1-[4-[2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetyl]phenyl]pyrrolidin-2-one Traditional Name: 1-[4-[2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetyl]phenyl]-2-pyrrolidone Formula: C20H24N3O4S2+ MolecularWeight: 434.55226

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)C(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)C(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C20H23N3O4S2/c24-18(16-5-7-17(8-6-16)23-9-1-3-19(23)25)15-21-10-12-22(13-11-21)29(26,27)20-4-2-14-28-20/h2,4-8,14H,1,3,9-13,15H2/p+1