5-[[5-[(5-methoxy-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-methoxy-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-methoxyindolin-1-yl)sulfonyl-2-oxo-indolin-1-ium-1-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid CAS Name: 5-[[5-[(5-methoxy-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-methoxy-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-[[2-keto-5-(5-methoxyindolin-1-yl)sulfonyl-indolin-1-ium-1-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid Formula: C25H24N3O6S+ MolecularWeight: 494.53956

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H23N3O6S/c1-14-20(26-15(2)24(14)25(30)31)13-27-21-7-5-19(11-17(21)12-23(27)29)35(32,33)28-9-8-16-10-18(34-3)4-6-22(16)28/h4-7,10-11,13H,8-9,12H2,1-3H3,(H,30,31)/p+1