6-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-(3,4-dimethoxyphenyl)sulfonyl-hexanoic acid

Systemtic Name: 6-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-(3,4-dimethoxyphenyl)sulfonyl-hexanoic acid Openeye Name: 3-(3,4-dimethoxyphenyl)sulfonyl-6-(1,3-dioxoisoindolin-2-yl)hexanoic acid CAS Name: 3-(3,4-dimethoxyphenyl)sulfonyl-6-(1,3-dioxo-2-isoindolyl)hexanoic acid IUPAC Name: 3-(3,4-dimethoxyphenyl)sulfonyl-6-(1,3-dioxoisoindol-2-yl)hexanoic acid Traditional Name: 3-(3,4-dimethoxyphenyl)sulfonyl-6-phthalimido-hexanoic acid Formula: C22H23NO8S MolecularWeight: 461.48492

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)C(CCCN2C(=O)C3=CC=CC=C3C2=O)CC(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)C(CCCN2C(=O)C3=CC=CC=C3C2=O)CC(=O)O)OC

InChI

InChI=1S/C22H23NO8S/c1-30-18-10-9-15(12-19(18)31-2)32(28,29)14(13-20(24)25)6-5-11-23-21(26)16-7-3-4-8-17(16)22(23)27/h3-4,7-10,12,14H,5-6,11,13H2,1-2H3,(H,24,25)