4-[[5-(diethylsulfamoyl)-2-methyl-phenyl]sulfamoyl]-1-methyl-pyrrole-2-carboxylic acid

Systemtic Name: 4-[[5-(diethylsulfamoyl)-2-methyl-phenyl]sulfamoyl]-1-methyl-pyrrole-2-carboxylic acid Openeye Name: 4-[[5-(diethylsulfamoyl)-2-methyl-phenyl]sulfamoyl]-1-methyl-pyrrole-2-carboxylic acid CAS Name: 4-[[5-(diethylsulfamoyl)-2-methylphenyl]sulfamoyl]-1-methyl-2-pyrrolecarboxylic acid IUPAC Name: 4-[[5-(diethylsulfamoyl)-2-methylphenyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid Traditional Name: 4-[[5-(diethylsulfamoyl)-2-methyl-phenyl]sulfamoyl]-1-methyl-pyrrole-2-carboxylic acid Formula: C17H23N3O6S2 MolecularWeight: 429.51102

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NS(=O)(=O)C2=CN(C(=C2)C(=O)O)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NS(=O)(=O)C2=CN(C(=C2)C(=O)O)C

InChI

InChI=1S/C17H23N3O6S2/c1-5-20(6-2)28(25,26)13-8-7-12(3)15(9-13)18-27(23,24)14-10-16(17(21)22)19(4)11-14/h7-11,18H,5-6H2,1-4H3,(H,21,22)