2-[[5-[(3-chlorophenyl)methylsulfonyl]-2-oxidanylidene-3H-indol-1-ium-1-ylidene]methyl]-5-methyl-1H-pyrrole-3-carboxylic acid

Systemtic Name: 2-[[5-[(3-chlorophenyl)methylsulfonyl]-2-oxidanylidene-3H-indol-1-ium-1-ylidene]methyl]-5-methyl-1H-pyrrole-3-carboxylic acid Openeye Name: 2-[[5-[(3-chlorophenyl)methylsulfonyl]-2-oxo-indolin-1-ium-1-ylidene]methyl]-5-methyl-1H-pyrrole-3-carboxylic acid CAS Name: 2-[[5-[(3-chlorophenyl)methylsulfonyl]-2-oxo-3H-indol-1-ium-1-ylidene]methyl]-5-methyl-1H-pyrrole-3-carboxylic acid IUPAC Name: 2-[[5-[(3-chlorophenyl)methylsulfonyl]-2-oxo-3H-indol-1-ium-1-ylidene]methyl]-5-methyl-1H-pyrrole-3-carboxylic acid Traditional Name: 2-[[5-(3-chlorobenzyl)sulfonyl-2-keto-indolin-1-ium-1-ylidene]methyl]-5-methyl-1H-pyrrole-3-carboxylic acid Formula: C22H18ClN2O5S+ MolecularWeight: 457.90672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1)C=[N+]2C(=O)CC3=C2C=CC(=C3)S(=O)(=O)CC4=CC(=CC=C4)Cl)C(=O)O

Isomeric SMILES

CC1=CC(=C(N1)C=[N+]2C(=O)CC3=C2C=CC(=C3)S(=O)(=O)CC4=CC(=CC=C4)Cl)C(=O)O

InChI

InChI=1S/C22H17ClN2O5S/c1-13-7-18(22(27)28)19(24-13)11-25-20-6-5-17(9-15(20)10-21(25)26)31(29,30)12-14-3-2-4-16(23)8-14/h2-9,11H,10,12H2,1H3,(H,27,28)/p+1