2-[2-methyl-5-(methylsulfonylamino)-3-(3-methylsulfonylphenyl)sulfanyl-indol-1-yl]ethanoic acid

Systemtic Name: 2-[2-methyl-5-(methylsulfonylamino)-3-(3-methylsulfonylphenyl)sulfanyl-indol-1-yl]ethanoic acid Openeye Name: 2-[5-(methanesulfonamido)-2-methyl-3-(3-methylsulfonylphenyl)sulfanyl-indol-1-yl]acetic acid CAS Name: 2-[5-(methanesulfonamido)-2-methyl-3-[(3-methylsulfonylphenyl)thio]-1-indolyl]acetic acid IUPAC Name: 2-[5-(methanesulfonamido)-2-methyl-3-(3-methylsulfonylphenyl)sulfanylindol-1-yl]acetic acid Traditional Name: 2-[3-[(3-mesylphenyl)thio]-5-(methanesulfonamido)-2-methyl-indol-1-yl]acetic acid Formula: C19H20N2O6S3 MolecularWeight: 468.5669

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O6S3/c1-12-19(28-14-5-4-6-15(10-14)29(2,24)25)16-9-13(20-30(3,26)27)7-8-17(16)21(12)11-18(22)23/h4-10,20H,11H2,1-3H3,(H,22,23)