2-[(3E)-6-acetamido-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]inden-1-yl]ethanoic acid

Systemtic Name: 2-[(3E)-6-acetamido-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]inden-1-yl]ethanoic acid Openeye Name: 2-[(3E)-6-acetamido-2-methyl-3-[(4-methylsulfonylphenyl)methylene]inden-1-yl]acetic acid CAS Name: 2-[(3E)-6-acetamido-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]-1-indenyl]acetic acid IUPAC Name: 2-[(3E)-6-acetamido-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]inden-1-yl]acetic acid Traditional Name: 2-[(3E)-6-acetamido-3-(4-mesylbenzylidene)-2-methyl-inden-1-yl]acetic acid Formula: C22H21NO5S MolecularWeight: 411.47084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C1=CC3=CC=C(C=C3)S(=O)(=O)C)C=CC(=C2)NC(=O)C)CC(=O)O

Isomeric SMILES

CC\1=C(C2=C(/C1=C/C3=CC=C(C=C3)S(=O)(=O)C)C=CC(=C2)NC(=O)C)CC(=O)O

InChI

InChI=1S/C22H21NO5S/c1-13-19(10-15-4-7-17(8-5-15)29(3,27)28)18-9-6-16(23-14(2)24)11-21(18)20(13)12-22(25)26/h4-11H,12H2,1-3H3,(H,23,24)(H,25,26)/b19-10+