2-[4-acetamido-2-methyl-3-(4-methylsulfonylphenyl)sulfanyl-indol-1-yl]ethanoic acid

Systemtic Name: 2-[4-acetamido-2-methyl-3-(4-methylsulfonylphenyl)sulfanyl-indol-1-yl]ethanoic acid Openeye Name: 2-[4-acetamido-2-methyl-3-(4-methylsulfonylphenyl)sulfanyl-indol-1-yl]acetic acid CAS Name: 2-[4-acetamido-2-methyl-3-[(4-methylsulfonylphenyl)thio]-1-indolyl]acetic acid IUPAC Name: 2-[4-acetamido-2-methyl-3-(4-methylsulfonylphenyl)sulfanylindol-1-yl]acetic acid Traditional Name: 2-[4-acetamido-3-[(4-mesylphenyl)thio]-2-methyl-indol-1-yl]acetic acid Formula: C20H20N2O5S2 MolecularWeight: 432.5132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC(=O)O)C=CC=C2NC(=O)C)SC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1=C(C2=C(N1CC(=O)O)C=CC=C2NC(=O)C)SC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C20H20N2O5S2/c1-12-20(28-14-7-9-15(10-8-14)29(3,26)27)19-16(21-13(2)23)5-4-6-17(19)22(12)11-18(24)25/h4-10H,11H2,1-3H3,(H,21,23)(H,24,25)