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

Systemtic Name: 2-[(3E)-6-(dimethylamino)-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]inden-1-yl]ethanoic acid Openeye Name: 2-[(3E)-6-(dimethylamino)-2-methyl-3-[(4-methylsulfonylphenyl)methylene]inden-1-yl]acetic acid CAS Name: 2-[(3E)-6-(dimethylamino)-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]-1-indenyl]acetic acid IUPAC Name: 2-[(3E)-6-(dimethylamino)-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]inden-1-yl]acetic acid Traditional Name: 2-[(3E)-6-(dimethylamino)-3-(4-mesylbenzylidene)-2-methyl-inden-1-yl]acetic acid Formula: C22H23NO4S MolecularWeight: 397.48732

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C22H23NO4S/c1-14-19(11-15-5-8-17(9-6-15)28(4,26)27)18-10-7-16(23(2)3)12-21(18)20(14)13-22(24)25/h5-12H,13H2,1-4H3,(H,24,25)/b19-11+