2,6-dimethyl-1-methylsulfonyl-5-(methylsulfonylamino)indole-3-carboxylic acid

Systemtic Name: 2,6-dimethyl-1-methylsulfonyl-5-(methylsulfonylamino)indole-3-carboxylic acid Openeye Name: 5-(methanesulfonamido)-2,6-dimethyl-1-methylsulfonyl-indole-3-carboxylic acid CAS Name: 5-(methanesulfonamido)-2,6-dimethyl-1-methylsulfonyl-3-indolecarboxylic acid IUPAC Name: 5-(methanesulfonamido)-2,6-dimethyl-1-methylsulfonylindole-3-carboxylic acid Traditional Name: 1-mesyl-5-(methanesulfonamido)-2,6-dimethyl-indole-3-carboxylic acid Formula: C13H16N2O6S2 MolecularWeight: 360.40594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)N(C(=C2C(=O)O)C)S(=O)(=O)C)NS(=O)(=O)C

Isomeric SMILES

CC1=C(C=C2C(=C1)N(C(=C2C(=O)O)C)S(=O)(=O)C)NS(=O)(=O)C

InChI

InChI=1S/C13H16N2O6S2/c1-7-5-11-9(6-10(7)14-22(3,18)19)12(13(16)17)8(2)15(11)23(4,20)21/h5-6,14H,1-4H3,(H,16,17)