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

Systemtic Name: 2-acetamido-6-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-(4-but-2-ynoxyphenyl)sulfonyl-hexanoic acid Openeye Name: 2-acetamido-2-(4-but-2-ynoxyphenyl)sulfonyl-6-(1,3-dioxoisoindolin-2-yl)hexanoic acid CAS Name: 2-acetamido-2-(4-but-2-ynoxyphenyl)sulfonyl-6-(1,3-dioxo-2-isoindolyl)hexanoic acid IUPAC Name: 2-acetamido-2-(4-but-2-ynoxyphenyl)sulfonyl-6-(1,3-dioxoisoindol-2-yl)hexanoic acid Traditional Name: 2-acetamido-2-(4-but-2-ynoxyphenyl)sulfonyl-6-phthalimido-hexanoic acid Formula: C26H26N2O8S MolecularWeight: 526.55824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C(CCCCN2C(=O)C3=CC=CC=C3C2=O)(C(=O)O)NC(=O)C

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C(CCCCN2C(=O)C3=CC=CC=C3C2=O)(C(=O)O)NC(=O)C

InChI

InChI=1S/C26H26N2O8S/c1-3-4-17-36-19-11-13-20(14-12-19)37(34,35)26(25(32)33,27-18(2)29)15-7-8-16-28-23(30)21-9-5-6-10-22(21)24(28)31/h5-6,9-14H,7-8,15-17H2,1-2H3,(H,27,29)(H,32,33)