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

Systemtic Name: 2-(2-methyl-1-naphthalen-2-ylsulfonyl-pyrrolo[2,3-b]pyridin-3-yl)ethanoic acid Openeye Name: 2-[2-methyl-1-(2-naphthylsulfonyl)pyrrolo[2,3-b]pyridin-3-yl]acetic acid CAS Name: 2-[2-methyl-1-(2-naphthalenylsulfonyl)-3-pyrrolo[2,3-b]pyridinyl]acetic acid IUPAC Name: 2-(2-methyl-1-naphthalen-2-ylsulfonylpyrrolo[2,3-b]pyridin-3-yl)acetic acid Traditional Name: 2-[2-methyl-1-(2-naphthylsulfonyl)pyrrolo[2,3-b]pyridin-3-yl]acetic acid Formula: C20H16N2O4S MolecularWeight: 380.41704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1S(=O)(=O)C3=CC4=CC=CC=C4C=C3)N=CC=C2)CC(=O)O

Isomeric SMILES

CC1=C(C2=C(N1S(=O)(=O)C3=CC4=CC=CC=C4C=C3)N=CC=C2)CC(=O)O

InChI

InChI=1S/C20H16N2O4S/c1-13-18(12-19(23)24)17-7-4-10-21-20(17)22(13)27(25,26)16-9-8-14-5-2-3-6-15(14)11-16/h2-11H,12H2,1H3,(H,23,24)