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

Systemtic Name: 2-[2-methyl-1-(4-methylsulfonylphenyl)sulfonyl-pyrrolo[2,3-b]pyridin-3-yl]ethanoic acid Openeye Name: 2-[2-methyl-1-(4-methylsulfonylphenyl)sulfonyl-pyrrolo[2,3-b]pyridin-3-yl]acetic acid CAS Name: 2-[2-methyl-1-(4-methylsulfonylphenyl)sulfonyl-3-pyrrolo[2,3-b]pyridinyl]acetic acid IUPAC Name: 2-[2-methyl-1-(4-methylsulfonylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]acetic acid Traditional Name: 2-[1-(4-mesylphenyl)sulfonyl-2-methyl-pyrrolo[2,3-b]pyridin-3-yl]acetic acid Formula: C17H16N2O6S2 MolecularWeight: 408.44874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O6S2/c1-11-15(10-16(20)21)14-4-3-9-18-17(14)19(11)27(24,25)13-7-5-12(6-8-13)26(2,22)23/h3-9H,10H2,1-2H3,(H,20,21)