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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1CC(=O)O)C)C=[N+]2C(=O)CC3=C2C=CC(=C3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(NC(=C1CC(=O)O)C)C=[N+]2C(=O)CC3=C2C=CC(=C3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C24H22N2O5S/c1-15-20(12-24(28)29)16(2)25-21(15)13-26-22-9-8-19(10-18(22)11-23(26)27)32(30,31)14-17-6-4-3-5-7-17/h3-10,13H,11-12,14H2,1-2H3,(H,28,29)/p+1