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

Systemtic Name: 5-[[5-(2,3-dihydroindol-1-ylsulfonyl)-2-oxidanylidene-3H-indol-1-ium-1-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid Openeye Name: 5-[(5-indolin-1-ylsulfonyl-2-oxo-indolin-1-ium-1-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid CAS Name: 5-[[5-(2,3-dihydroindol-1-ylsulfonyl)-2-oxo-3H-indol-1-ium-1-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid IUPAC Name: 5-[[5-(2,3-dihydroindol-1-ylsulfonyl)-2-oxo-3H-indol-1-ium-1-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid Traditional Name: 5-[(5-indolin-1-ylsulfonyl-2-keto-indolin-1-ium-1-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid Formula: C24H22N3O5S+ MolecularWeight: 464.51358

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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=CC=CC=C54

Isomeric SMILES

CC1=C(NC(=C1C(=O)O)C)C=[N+]2C(=O)CC3=C2C=CC(=C3)S(=O)(=O)N4CCC5=CC=CC=C54

InChI

InChI=1S/C24H21N3O5S/c1-14-19(25-15(2)23(14)24(29)30)13-26-20-8-7-18(11-17(20)12-22(26)28)33(31,32)27-10-9-16-5-3-4-6-21(16)27/h3-8,11,13H,9-10,12H2,1-2H3,(H,29,30)/p+1