2-[1-(3-cyano-4-morpholin-4-yl-phenyl)sulfonyl-2-methyl-pyrrolo[2,3-b]pyridin-3-yl]ethanoic acid

Systemtic Name: 2-[1-(3-cyano-4-morpholin-4-yl-phenyl)sulfonyl-2-methyl-pyrrolo[2,3-b]pyridin-3-yl]ethanoic acid Openeye Name: 2-[1-(3-cyano-4-morpholino-phenyl)sulfonyl-2-methyl-pyrrolo[2,3-b]pyridin-3-yl]acetic acid CAS Name: 2-[1-[3-cyano-4-(4-morpholinyl)phenyl]sulfonyl-2-methyl-3-pyrrolo[2,3-b]pyridinyl]acetic acid IUPAC Name: 2-[1-(3-cyano-4-morpholin-4-ylphenyl)sulfonyl-2-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid Traditional Name: 2-[1-(3-cyano-4-morpholino-phenyl)sulfonyl-2-methyl-pyrrolo[2,3-b]pyridin-3-yl]acetic acid Formula: C21H20N4O5S MolecularWeight: 440.4723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1S(=O)(=O)C3=CC(=C(C=C3)N4CCOCC4)C#N)N=CC=C2)CC(=O)O

Isomeric SMILES

CC1=C(C2=C(N1S(=O)(=O)C3=CC(=C(C=C3)N4CCOCC4)C#N)N=CC=C2)CC(=O)O

InChI

InChI=1S/C21H20N4O5S/c1-14-18(12-20(26)27)17-3-2-6-23-21(17)25(14)31(28,29)16-4-5-19(15(11-16)13-22)24-7-9-30-10-8-24/h2-6,11H,7-10,12H2,1H3,(H,26,27)