2-[6-methoxy-3-[5-(methylsulfamoyl)-2-oxidanylidene-7aH-indol-1-ium-1-ylidene]-1,2-dihydroinden-1-yl]ethanoic acid

Systemtic Name: 2-[6-methoxy-3-[5-(methylsulfamoyl)-2-oxidanylidene-7aH-indol-1-ium-1-ylidene]-1,2-dihydroinden-1-yl]ethanoic acid Openeye Name: 2-[6-methoxy-3-[5-(methylsulfamoyl)-2-oxo-7aH-indol-1-ium-1-ylidene]indan-1-yl]acetic acid CAS Name: 2-[6-methoxy-3-[5-(methylsulfamoyl)-2-oxo-7aH-indol-1-ium-1-ylidene]-1,2-dihydroinden-1-yl]acetic acid IUPAC Name: 2-[6-methoxy-3-[5-(methylsulfamoyl)-2-oxo-7aH-indol-1-ium-1-ylidene]-1,2-dihydroinden-1-yl]acetic acid Traditional Name: 2-[3-[2-keto-5-(methylsulfamoyl)-7aH-indol-1-ium-1-ylidene]-6-methoxy-indan-1-yl]acetic acid Formula: C21H21N2O6S+ MolecularWeight: 429.46624

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC2=CC(=O)[N+](=C3CC(C4=C3C=CC(=C4)OC)CC(=O)O)C2C=C1

Isomeric SMILES

CNS(=O)(=O)C1=CC2=CC(=O)[N+](=C3CC(C4=C3C=CC(=C4)OC)CC(=O)O)C2C=C1

InChI

InChI=1S/C21H20N2O6S/c1-22-30(27,28)15-4-6-18-13(7-15)9-20(24)23(18)19-8-12(10-21(25)26)17-11-14(29-2)3-5-16(17)19/h3-7,9,11-12,18,22H,8,10H2,1-2H3/p+1