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

Systemtic Name: 5-[[5-[(4-cyanophenyl)methylsulfonyl]-2-oxidanylidene-3H-indol-1-ium-1-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid Openeye Name: 5-[[5-[(4-cyanophenyl)methylsulfonyl]-2-oxo-indolin-1-ium-1-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid CAS Name: 5-[[5-[(4-cyanophenyl)methylsulfonyl]-2-oxo-3H-indol-1-ium-1-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid IUPAC Name: 5-[[5-[(4-cyanophenyl)methylsulfonyl]-2-oxo-3H-indol-1-ium-1-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid Traditional Name: 5-[[5-(4-cyanobenzyl)sulfonyl-2-keto-indolin-1-ium-1-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid Formula: C24H20N3O5S+ MolecularWeight: 462.4977

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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=C(C=C4)C#N

Isomeric SMILES

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

InChI

InChI=1S/C24H19N3O5S/c1-14-20(26-15(2)23(14)24(29)30)12-27-21-8-7-19(9-18(21)10-22(27)28)33(31,32)13-17-5-3-16(11-25)4-6-17/h3-9,12H,10,13H2,1-2H3,(H,29,30)/p+1