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

Systemtic Name: 2-[2-methyl-4-(methylsulfonylamino)-3-(4-methylsulfonylphenyl)sulfanyl-indol-1-yl]ethanoic acid Openeye Name: 2-[4-(methanesulfonamido)-2-methyl-3-(4-methylsulfonylphenyl)sulfanyl-indol-1-yl]acetic acid CAS Name: 2-[4-(methanesulfonamido)-2-methyl-3-[(4-methylsulfonylphenyl)thio]-1-indolyl]acetic acid IUPAC Name: 2-[4-(methanesulfonamido)-2-methyl-3-(4-methylsulfonylphenyl)sulfanylindol-1-yl]acetic acid Traditional Name: 2-[3-[(4-mesylphenyl)thio]-4-(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=C2NS(=O)(=O)C)SC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1=C(C2=C(N1CC(=O)O)C=CC=C2NS(=O)(=O)C)SC3=CC=C(C=C3)S(=O)(=O)C

InChI

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