5-[[5-[(5-bromanyl-2,3-dihydroindol-1-yl)sulfonyl]-2-oxidanylidene-3H-indol-1-ium-1-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid

Systemtic Name: 5-[[5-[(5-bromanyl-2,3-dihydroindol-1-yl)sulfonyl]-2-oxidanylidene-3H-indol-1-ium-1-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid Openeye Name: 5-[[5-(5-bromoindolin-1-yl)sulfonyl-2-oxo-indolin-1-ium-1-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid CAS Name: 5-[[5-[(5-bromo-2,3-dihydroindol-1-yl)sulfonyl]-2-oxo-3H-indol-1-ium-1-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid IUPAC Name: 5-[[5-[(5-bromo-2,3-dihydroindol-1-yl)sulfonyl]-2-oxo-3H-indol-1-ium-1-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid Traditional Name: 5-[[5-(5-bromoindolin-1-yl)sulfonyl-2-keto-indolin-1-ium-1-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid Formula: C24H21BrN3O5S+ MolecularWeight: 543.40964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)O)C)C=[N+]2C(=O)CC3=C2C=CC(=C3)S(=O)(=O)N4CCC5=C4C=CC(=C5)Br

Isomeric SMILES

CC1=C(NC(=C1C(=O)O)C)C=[N+]2C(=O)CC3=C2C=CC(=C3)S(=O)(=O)N4CCC5=C4C=CC(=C5)Br

InChI

InChI=1S/C24H20BrN3O5S/c1-13-19(26-14(2)23(13)24(30)31)12-27-20-6-4-18(10-16(20)11-22(27)29)34(32,33)28-8-7-15-9-17(25)3-5-21(15)28/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,30,31)/p+1