2-[5-cyano-2-methyl-3-(4-methylsulfonylphenoxy)indol-1-yl]ethanoic acid

Systemtic Name: 2-[5-cyano-2-methyl-3-(4-methylsulfonylphenoxy)indol-1-yl]ethanoic acid Openeye Name: 2-[5-cyano-2-methyl-3-(4-methylsulfonylphenoxy)indol-1-yl]acetic acid CAS Name: 2-[5-cyano-2-methyl-3-(4-methylsulfonylphenoxy)-1-indolyl]acetic acid IUPAC Name: 2-[5-cyano-2-methyl-3-(4-methylsulfonylphenoxy)indol-1-yl]acetic acid Traditional Name: 2-[5-cyano-3-(4-mesylphenoxy)-2-methyl-indol-1-yl]acetic acid Formula: C19H16N2O5S MolecularWeight: 384.40574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC(=O)O)C=CC(=C2)C#N)OC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1=C(C2=C(N1CC(=O)O)C=CC(=C2)C#N)OC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C19H16N2O5S/c1-12-19(26-14-4-6-15(7-5-14)27(2,24)25)16-9-13(10-20)3-8-17(16)21(12)11-18(22)23/h3-9H,11H2,1-2H3,(H,22,23)