2-(1H-indol-3-yl)-3-(2-methylsulfonylphenyl)-3-oxidanylidene-propanoic acid

Systemtic Name: 2-(1H-indol-3-yl)-3-(2-methylsulfonylphenyl)-3-oxidanylidene-propanoic acid Openeye Name: 2-(1H-indol-3-yl)-3-(2-methylsulfonylphenyl)-3-oxo-propanoic acid CAS Name: 2-(1H-indol-3-yl)-3-(2-methylsulfonylphenyl)-3-oxopropanoic acid IUPAC Name: 2-(1H-indol-3-yl)-3-(2-methylsulfonylphenyl)-3-oxopropanoic acid Traditional Name: 2-(1H-indol-3-yl)-3-keto-3-(2-mesylphenyl)propionic acid Formula: C18H15NO5S MolecularWeight: 357.3804

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C(=O)C(C2=CNC3=CC=CC=C32)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C(=O)C(C2=CNC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C18H15NO5S/c1-25(23,24)15-9-5-3-7-12(15)17(20)16(18(21)22)13-10-19-14-8-4-2-6-11(13)14/h2-10,16,19H,1H3,(H,21,22)