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

Systemtic Name: 2,4-dimethyl-5-[[4-methyl-2-oxidanylidene-5-(phenylmethyl)sulfonyl-3H-indol-1-ium-1-ylidene]methyl]-1H-pyrrole-3-carboxylic acid Openeye Name: 5-[(5-benzylsulfonyl-4-methyl-2-oxo-indolin-1-ium-1-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid CAS Name: 2,4-dimethyl-5-[[4-methyl-2-oxo-5-(phenylmethyl)sulfonyl-3H-indol-1-ium-1-ylidene]methyl]-1H-pyrrole-3-carboxylic acid IUPAC Name: 5-[(5-benzylsulfonyl-4-methyl-2-oxo-3H-indol-1-ium-1-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid Traditional Name: 5-[(5-benzylsulfonyl-2-keto-4-methyl-indolin-1-ium-1-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid Formula: C24H23N2O5S+ MolecularWeight: 451.51482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1CC(=O)[N+]2=CC3=C(C(=C(N3)C)C(=O)O)C)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC2=C1CC(=O)[N+]2=CC3=C(C(=C(N3)C)C(=O)O)C)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C24H22N2O5S/c1-14-18-11-22(27)26(12-19-15(2)23(24(28)29)16(3)25-19)20(18)9-10-21(14)32(30,31)13-17-7-5-4-6-8-17/h4-10,12H,11,13H2,1-3H3,(H,28,29)/p+1