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

Systemtic Name: 6-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-(4-methoxyphenyl)sulfonyl-2-methyl-hexanoic acid Openeye Name: 6-(1,3-dioxoisoindolin-2-yl)-2-(4-methoxyphenyl)sulfonyl-2-methyl-hexanoic acid CAS Name: 6-(1,3-dioxo-2-isoindolyl)-2-(4-methoxyphenyl)sulfonyl-2-methylhexanoic acid IUPAC Name: 6-(1,3-dioxoisoindol-2-yl)-2-(4-methoxyphenyl)sulfonyl-2-methylhexanoic acid Traditional Name: 2-(4-methoxyphenyl)sulfonyl-2-methyl-6-phthalimido-hexanoic acid Formula: C22H23NO7S MolecularWeight: 445.48552

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN1C(=O)C2=CC=CC=C2C1=O)(C(=O)O)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(CCCCN1C(=O)C2=CC=CC=C2C1=O)(C(=O)O)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H23NO7S/c1-22(21(26)27,31(28,29)16-11-9-15(30-2)10-12-16)13-5-6-14-23-19(24)17-7-3-4-8-18(17)20(23)25/h3-4,7-12H,5-6,13-14H2,1-2H3,(H,26,27)