2-(2-methyl-1-pyridin-3-ylsulfonyl-pyrrolo[2,3-b]pyridin-3-yl)ethanoic acid

Systemtic Name: 2-(2-methyl-1-pyridin-3-ylsulfonyl-pyrrolo[2,3-b]pyridin-3-yl)ethanoic acid Openeye Name: 2-[2-methyl-1-(3-pyridylsulfonyl)pyrrolo[2,3-b]pyridin-3-yl]acetic acid CAS Name: 2-[2-methyl-1-(3-pyridinylsulfonyl)-3-pyrrolo[2,3-b]pyridinyl]acetic acid IUPAC Name: 2-(2-methyl-1-pyridin-3-ylsulfonylpyrrolo[2,3-b]pyridin-3-yl)acetic acid Traditional Name: 2-[2-methyl-1-(3-pyridylsulfonyl)pyrrolo[2,3-b]pyridin-3-yl]acetic acid Formula: C15H13N3O4S MolecularWeight: 331.34642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3O4S/c1-10-13(8-14(19)20)12-5-3-7-17-15(12)18(10)23(21,22)11-4-2-6-16-9-11/h2-7,9H,8H2,1H3,(H,19,20)