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

Systemtic Name: 2-[5-cyano-2-methyl-1-(4-methylsulfonylphenyl)sulfonyl-indol-3-yl]ethanoic acid Openeye Name: 2-[5-cyano-2-methyl-1-(4-methylsulfonylphenyl)sulfonyl-indol-3-yl]acetic acid CAS Name: 2-[5-cyano-2-methyl-1-(4-methylsulfonylphenyl)sulfonyl-3-indolyl]acetic acid IUPAC Name: 2-[5-cyano-2-methyl-1-(4-methylsulfonylphenyl)sulfonylindol-3-yl]acetic acid Traditional Name: 2-[5-cyano-1-(4-mesylphenyl)sulfonyl-2-methyl-indol-3-yl]acetic acid Formula: C19H16N2O6S2 MolecularWeight: 432.47014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N2O6S2/c1-12-16(10-19(22)23)17-9-13(11-20)3-8-18(17)21(12)29(26,27)15-6-4-14(5-7-15)28(2,24)25/h3-9H,10H2,1-2H3,(H,22,23)