2-[2-oxidanylidene-1-[[4-(phenylsulfonylamino)phenyl]methyl]pyrrolidin-1-ium-1-yl]ethanethioate

Systemtic Name: 2-[2-oxidanylidene-1-[[4-(phenylsulfonylamino)phenyl]methyl]pyrrolidin-1-ium-1-yl]ethanethioate Openeye Name: 2-[1-[[4-(benzenesulfonamido)phenyl]methyl]-2-oxo-pyrrolidin-1-ium-1-yl]ethanethioate CAS Name: 2-[1-[[4-(benzenesulfonamido)phenyl]methyl]-2-oxo-1-pyrrolidin-1-iumyl]ethanethioate IUPAC Name: 2-[1-[[4-(benzenesulfonamido)phenyl]methyl]-2-oxopyrrolidin-1-ium-1-yl]ethanethioate Traditional Name: 2-[1-[4-(benzenesulfonamido)benzyl]-2-keto-pyrrolidin-1-ium-1-yl]thioacetate Formula: C19H20N2O4S2 MolecularWeight: 404.5031

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)[N+](C1)(CC2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3)CC(=S)[O-]

Isomeric SMILES

C1CC(=O)[N+](C1)(CC2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3)CC(=S)[O-]

InChI

InChI=1S/C19H20N2O4S2/c22-18-7-4-12-21(18,14-19(23)26)13-15-8-10-16(11-9-15)20-27(24,25)17-5-2-1-3-6-17/h1-3,5-6,8-11,20H,4,7,12-14H2