4-[(1-methoxy-4-methyl-1-oxidanylidene-pentan-2-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid

Systemtic Name: 4-[(1-methoxy-4-methyl-1-oxidanylidene-pentan-2-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid Openeye Name: 4-[(1-methoxycarbonyl-3-methyl-butyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid CAS Name: 4-[(1-methoxy-4-methyl-1-oxopentan-2-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-[(1-methoxy-4-methyl-1-oxopentan-2-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid Traditional Name: 4-[(1-carbomethoxy-3-methyl-butyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid Formula: C12H18N2O6S MolecularWeight: 318.34612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NS(=O)(=O)C1=CNC(=C1)C(=O)O

Isomeric SMILES

CC(C)CC(C(=O)OC)NS(=O)(=O)C1=CNC(=C1)C(=O)O

InChI

InChI=1S/C12H18N2O6S/c1-7(2)4-10(12(17)20-3)14-21(18,19)8-5-9(11(15)16)13-6-8/h5-7,10,13-14H,4H2,1-3H3,(H,15,16)