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

Systemtic Name: 3-[4-chloranyl-1-(4-methylphenyl)sulfonyl-pyrrolo[2,3-b]pyridin-2-yl]-1H-indole-5-carboxylic acid Openeye Name: 3-[4-chloro-1-(p-tolylsulfonyl)pyrrolo[2,3-b]pyridin-2-yl]-1H-indole-5-carboxylic acid CAS Name: 3-[4-chloro-1-(4-methylphenyl)sulfonyl-2-pyrrolo[2,3-b]pyridinyl]-1H-indole-5-carboxylic acid IUPAC Name: 3-[4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]-1H-indole-5-carboxylic acid Traditional Name: 3-(4-chloro-1-tosyl-pyrrolo[2,3-b]pyridin-2-yl)-1H-indole-5-carboxylic acid Formula: C23H16ClN3O4S MolecularWeight: 465.90884

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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=CNC5=C4C=C(C=C5)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(=CC3=C(C=CN=C32)Cl)C4=CNC5=C4C=C(C=C5)C(=O)O

InChI

InChI=1S/C23H16ClN3O4S/c1-13-2-5-15(6-3-13)32(30,31)27-21(11-17-19(24)8-9-25-22(17)27)18-12-26-20-7-4-14(23(28)29)10-16(18)20/h2-12,26H,1H3,(H,28,29)