5-[[5-[(3-methoxyphenyl)methylsulfonyl]-2-oxidanylidene-3H-indol-1-ium-1-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid

Systemtic Name: 5-[[5-[(3-methoxyphenyl)methylsulfonyl]-2-oxidanylidene-3H-indol-1-ium-1-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid Openeye Name: 5-[[5-[(3-methoxyphenyl)methylsulfonyl]-2-oxo-indolin-1-ium-1-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid CAS Name: 5-[[5-[(3-methoxyphenyl)methylsulfonyl]-2-oxo-3H-indol-1-ium-1-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid IUPAC Name: 5-[[5-[(3-methoxyphenyl)methylsulfonyl]-2-oxo-3H-indol-1-ium-1-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid Traditional Name: 5-[(2-keto-5-m-anisylsulfonyl-indolin-1-ium-1-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid Formula: C24H23N2O6S+ MolecularWeight: 467.51422

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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)CC4=CC(=CC=C4)OC

Isomeric SMILES

CC1=C(NC(=C1C(=O)O)C)C=[N+]2C(=O)CC3=C2C=CC(=C3)S(=O)(=O)CC4=CC(=CC=C4)OC

InChI

InChI=1S/C24H22N2O6S/c1-14-20(25-15(2)23(14)24(28)29)12-26-21-8-7-19(10-17(21)11-22(26)27)33(30,31)13-16-5-4-6-18(9-16)32-3/h4-10,12H,11,13H2,1-3H3,(H,28,29)/p+1