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

Systemtic Name: 3-[4-chloranyl-1-(4-methylphenyl)sulfonyl-pyrrolo[2,3-b]pyridin-2-yl]-1-methyl-indole-5-carboxylic acid Openeye Name: 3-[4-chloro-1-(p-tolylsulfonyl)pyrrolo[2,3-b]pyridin-2-yl]-1-methyl-indole-5-carboxylic acid CAS Name: 3-[4-chloro-1-(4-methylphenyl)sulfonyl-2-pyrrolo[2,3-b]pyridinyl]-1-methyl-5-indolecarboxylic acid IUPAC Name: 3-[4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]-1-methylindole-5-carboxylic acid Traditional Name: 3-(4-chloro-1-tosyl-pyrrolo[2,3-b]pyridin-2-yl)-1-methyl-indole-5-carboxylic acid Formula: C24H18ClN3O4S MolecularWeight: 479.93542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(=CC3=C(C=CN=C32)Cl)C4=CN(C5=C4C=C(C=C5)C(=O)O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(=CC3=C(C=CN=C32)Cl)C4=CN(C5=C4C=C(C=C5)C(=O)O)C

InChI

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