2-methyl-1-methylsulfonyl-5-(methylsulfonylamino)indole-3-carboxylic acid

Systemtic Name: 2-methyl-1-methylsulfonyl-5-(methylsulfonylamino)indole-3-carboxylic acid Openeye Name: 5-(methanesulfonamido)-2-methyl-1-methylsulfonyl-indole-3-carboxylic acid CAS Name: 5-(methanesulfonamido)-2-methyl-1-methylsulfonyl-3-indolecarboxylic acid IUPAC Name: 5-(methanesulfonamido)-2-methyl-1-methylsulfonylindole-3-carboxylic acid Traditional Name: 1-mesyl-5-(methanesulfonamido)-2-methyl-indole-3-carboxylic acid Formula: C12H14N2O6S2 MolecularWeight: 346.37936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1S(=O)(=O)C)C=CC(=C2)NS(=O)(=O)C)C(=O)O

Isomeric SMILES

CC1=C(C2=C(N1S(=O)(=O)C)C=CC(=C2)NS(=O)(=O)C)C(=O)O

InChI

InChI=1S/C12H14N2O6S2/c1-7-11(12(15)16)9-6-8(13-21(2,17)18)4-5-10(9)14(7)22(3,19)20/h4-6,13H,1-3H3,(H,15,16)