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

Systemtic Name: 2-[2-methyl-1-(4-phenylphenyl)sulfonyl-pyrrolo[2,3-b]pyridin-3-yl]ethanoic acid Openeye Name: 2-[2-methyl-1-(4-phenylphenyl)sulfonyl-pyrrolo[2,3-b]pyridin-3-yl]acetic acid CAS Name: 2-[2-methyl-1-(4-phenylphenyl)sulfonyl-3-pyrrolo[2,3-b]pyridinyl]acetic acid IUPAC Name: 2-[2-methyl-1-(4-phenylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]acetic acid Traditional Name: 2-[2-methyl-1-(4-phenylphenyl)sulfonyl-pyrrolo[2,3-b]pyridin-3-yl]acetic acid Formula: C22H18N2O4S MolecularWeight: 406.45432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1S(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4)N=CC=C2)CC(=O)O

Isomeric SMILES

CC1=C(C2=C(N1S(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4)N=CC=C2)CC(=O)O

InChI

InChI=1S/C22H18N2O4S/c1-15-20(14-21(25)26)19-8-5-13-23-22(19)24(15)29(27,28)18-11-9-17(10-12-18)16-6-3-2-4-7-16/h2-13H,14H2,1H3,(H,25,26)