2-[2-methyl-1-(4-propan-2-ylphenyl)sulfonyl-pyrrolo[2,3-b]pyridin-3-yl]ethanoic acid

Systemtic Name: 2-[2-methyl-1-(4-propan-2-ylphenyl)sulfonyl-pyrrolo[2,3-b]pyridin-3-yl]ethanoic acid Openeye Name: 2-[1-(4-isopropylphenyl)sulfonyl-2-methyl-pyrrolo[2,3-b]pyridin-3-yl]acetic acid CAS Name: 2-[2-methyl-1-(4-propan-2-ylphenyl)sulfonyl-3-pyrrolo[2,3-b]pyridinyl]acetic acid IUPAC Name: 2-[2-methyl-1-(4-propan-2-ylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]acetic acid Traditional Name: 2-(2-methyl-1-p-cumenylsulfonyl-pyrrolo[2,3-b]pyridin-3-yl)acetic acid Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1S(=O)(=O)C3=CC=C(C=C3)C(C)C)N=CC=C2)CC(=O)O

Isomeric SMILES

CC1=C(C2=C(N1S(=O)(=O)C3=CC=C(C=C3)C(C)C)N=CC=C2)CC(=O)O

InChI

InChI=1S/C19H20N2O4S/c1-12(2)14-6-8-15(9-7-14)26(24,25)21-13(3)17(11-18(22)23)16-5-4-10-20-19(16)21/h4-10,12H,11H2,1-3H3,(H,22,23)