N-cyclopropyl-2-[1-(3,4-dimethoxyphenyl)-2-methylsulfonyl-ethyl]-1,3-bis(oxidanylidene)isoindol-2-ium-2-carboxamide

Systemtic Name: N-cyclopropyl-2-[1-(3,4-dimethoxyphenyl)-2-methylsulfonyl-ethyl]-1,3-bis(oxidanylidene)isoindol-2-ium-2-carboxamide Openeye Name: N-cyclopropyl-2-[1-(3,4-dimethoxyphenyl)-2-methylsulfonyl-ethyl]-1,3-dioxo-isoindolin-2-ium-2-carboxamide CAS Name: N-cyclopropyl-2-[1-(3,4-dimethoxyphenyl)-2-methylsulfonylethyl]-1,3-dioxo-2-isoindol-2-iumcarboxamide IUPAC Name: N-cyclopropyl-2-[1-(3,4-dimethoxyphenyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-2-ium-2-carboxamide Traditional Name: N-cyclopropyl-2-[1-(3,4-dimethoxyphenyl)-2-mesyl-ethyl]-1,3-diketo-isoindolin-2-ium-2-carboxamide Formula: C23H25N2O7S+ MolecularWeight: 473.5188

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CS(=O)(=O)C)[N+]2(C(=O)C3=CC=CC=C3C2=O)C(=O)NC4CC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CS(=O)(=O)C)[N+]2(C(=O)C3=CC=CC=C3C2=O)C(=O)NC4CC4)OC

InChI

InChI=1S/C23H24N2O7S/c1-31-19-11-8-14(12-20(19)32-2)18(13-33(3,29)30)25(23(28)24-15-9-10-15)21(26)16-6-4-5-7-17(16)22(25)27/h4-8,11-12,15,18H,9-10,13H2,1-3H3/p+1