N-cyclopentyl-2-[1-(3-ethoxy-4-methoxy-phenyl)-2-methylsulfonyl-ethyl]-1,3-bis(oxidanylidene)isoindol-2-ium-2-carboxamide

Systemtic Name: N-cyclopentyl-2-[1-(3-ethoxy-4-methoxy-phenyl)-2-methylsulfonyl-ethyl]-1,3-bis(oxidanylidene)isoindol-2-ium-2-carboxamide Openeye Name: N-cyclopentyl-2-[1-(3-ethoxy-4-methoxy-phenyl)-2-methylsulfonyl-ethyl]-1,3-dioxo-isoindolin-2-ium-2-carboxamide CAS Name: N-cyclopentyl-2-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1,3-dioxo-2-isoindol-2-iumcarboxamide IUPAC Name: N-cyclopentyl-2-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-2-ium-2-carboxamide Traditional Name: N-cyclopentyl-2-[1-(3-ethoxy-4-methoxy-phenyl)-2-mesyl-ethyl]-1,3-diketo-isoindolin-2-ium-2-carboxamide Formula: C26H31N2O7S+ MolecularWeight: 515.59854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(CS(=O)(=O)C)[N+]2(C(=O)C3=CC=CC=C3C2=O)C(=O)NC4CCCC4)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(CS(=O)(=O)C)[N+]2(C(=O)C3=CC=CC=C3C2=O)C(=O)NC4CCCC4)OC

InChI

InChI=1S/C26H30N2O7S/c1-4-35-23-15-17(13-14-22(23)34-2)21(16-36(3,32)33)28(26(31)27-18-9-5-6-10-18)24(29)19-11-7-8-12-20(19)25(28)30/h7-8,11-15,18,21H,4-6,9-10,16H2,1-3H3/p+1