3-[4-chloranyl-1-methyl-1-(4-methylphenyl)sulfonyl-pyrrolo[2,3-b]pyridin-1-ium-2-yl]-1H-indole-5-carboxylic acid

Systemtic Name: 3-[4-chloranyl-1-methyl-1-(4-methylphenyl)sulfonyl-pyrrolo[2,3-b]pyridin-1-ium-2-yl]-1H-indole-5-carboxylic acid Openeye Name: 3-[4-chloro-1-methyl-1-(p-tolylsulfonyl)pyrrolo[2,3-b]pyridin-1-ium-2-yl]-1H-indole-5-carboxylic acid CAS Name: 3-[4-chloro-1-methyl-1-(4-methylphenyl)sulfonyl-2-pyrrolo[2,3-b]pyridin-1-iumyl]-1H-indole-5-carboxylic acid IUPAC Name: 3-[4-chloro-1-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-1-ium-2-yl]-1H-indole-5-carboxylic acid Traditional Name: 3-(4-chloro-1-methyl-1-tosyl-pyrrolo[2,3-b]pyridin-1-ium-2-yl)-1H-indole-5-carboxylic acid Formula: C24H19ClN3O4S+ MolecularWeight: 480.94336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[N+]2(C(=CC3=C(C=CN=C32)Cl)C4=CNC5=C4C=C(C=C5)C(=O)O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[N+]2(C(=CC3=C(C=CN=C32)Cl)C4=CNC5=C4C=C(C=C5)C(=O)O)C

InChI

InChI=1S/C24H18ClN3O4S/c1-14-3-6-16(7-4-14)33(31,32)28(2)22(12-18-20(25)9-10-26-23(18)28)19-13-27-21-8-5-15(24(29)30)11-17(19)21/h3-13,27H,1-2H3/p+1