4-[[4,5-bis(oxidanylidene)-1-(pyridin-1-ium-3-ylmethyl)-2-thiophen-2-yl-pyrrolidin-3-ylidene]-oxidanyl-methyl]-N,N-dimethyl-benzenesulfonamide

Systemtic Name: 4-[[4,5-bis(oxidanylidene)-1-(pyridin-1-ium-3-ylmethyl)-2-thiophen-2-yl-pyrrolidin-3-ylidene]-oxidanyl-methyl]-N,N-dimethyl-benzenesulfonamide Openeye Name: 4-[[4,5-dioxo-1-(pyridin-1-ium-3-ylmethyl)-2-(2-thienyl)pyrrolidin-3-ylidene]-hydroxy-methyl]-N,N-dimethyl-benzenesulfonamide CAS Name: 4-[[4,5-dioxo-1-(3-pyridin-1-iumylmethyl)-2-thiophen-2-yl-3-pyrrolidinylidene]-hydroxymethyl]-N,N-dimethylbenzenesulfonamide IUPAC Name: 4-[[4,5-dioxo-1-(pyridin-1-ium-3-ylmethyl)-2-thiophen-2-ylpyrrolidin-3-ylidene]-hydroxymethyl]-N,N-dimethylbenzenesulfonamide Traditional Name: 4-[[4,5-diketo-1-(pyridin-1-ium-3-ylmethyl)-2-(2-thienyl)pyrrolidin-3-ylidene]-hydroxy-methyl]-N,N-dimethyl-benzenesulfonamide Formula: C23H22N3O5S2+ MolecularWeight: 484.56788

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CC3=C[NH+]=CC=C3)C4=CC=CS4)O

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CC3=C[NH+]=CC=C3)C4=CC=CS4)O

InChI

InChI=1S/C23H21N3O5S2/c1-25(2)33(30,31)17-9-7-16(8-10-17)21(27)19-20(18-6-4-12-32-18)26(23(29)22(19)28)14-15-5-3-11-24-13-15/h3-13,20,27H,14H2,1-2H3/p+1