2-[1-methyl-3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]indol-5-yl]oxyethanoic acid

Systemtic Name: 2-[1-methyl-3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]indol-5-yl]oxyethanoic acid Openeye Name: 2-[1-methyl-3-[1-(p-tolylsulfonyl)pyrrolo[2,3-b]pyridin-2-yl]indol-5-yl]oxyacetic acid CAS Name: 2-[[1-methyl-3-[1-(4-methylphenyl)sulfonyl-2-pyrrolo[2,3-b]pyridinyl]-5-indolyl]oxy]acetic acid IUPAC Name: 2-[1-methyl-3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]indol-5-yl]oxyacetic acid Traditional Name: 2-[1-methyl-3-(1-tosylpyrrolo[2,3-b]pyridin-2-yl)indol-5-yl]oxyacetic acid Formula: C25H21N3O5S MolecularWeight: 475.51634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(=CC3=C2N=CC=C3)C4=CN(C5=C4C=C(C=C5)OCC(=O)O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(=CC3=C2N=CC=C3)C4=CN(C5=C4C=C(C=C5)OCC(=O)O)C

InChI

InChI=1S/C25H21N3O5S/c1-16-5-8-19(9-6-16)34(31,32)28-23(12-17-4-3-11-26-25(17)28)21-14-27(2)22-10-7-18(13-20(21)22)33-15-24(29)30/h3-14H,15H2,1-2H3,(H,29,30)