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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=C1C(=O)O)C)C=[N+]2C(=O)CC3=C2C=CC(=C3)S(=O)(=O)CC4=CC=CC=C4C#N

Isomeric SMILES

CC1=CN(C(=C1C(=O)O)C)C=[N+]2C(=O)CC3=C2C=CC(=C3)S(=O)(=O)CC4=CC=CC=C4C#N

InChI

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