4-[2-cyanoethyl(propan-2-yl)sulfamoyl]-1-methyl-pyrrole-2-carboxylic acid

Systemtic Name: 4-[2-cyanoethyl(propan-2-yl)sulfamoyl]-1-methyl-pyrrole-2-carboxylic acid Openeye Name: 4-[2-cyanoethyl(isopropyl)sulfamoyl]-1-methyl-pyrrole-2-carboxylic acid CAS Name: 4-[2-cyanoethyl(propan-2-yl)sulfamoyl]-1-methyl-2-pyrrolecarboxylic acid IUPAC Name: 4-[2-cyanoethyl(propan-2-yl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid Traditional Name: 4-[2-cyanoethyl(isopropyl)sulfamoyl]-1-methyl-pyrrole-2-carboxylic acid Formula: C12H17N3O4S MolecularWeight: 299.34608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCC#N)S(=O)(=O)C1=CN(C(=C1)C(=O)O)C

Isomeric SMILES

CC(C)N(CCC#N)S(=O)(=O)C1=CN(C(=C1)C(=O)O)C

InChI

InChI=1S/C12H17N3O4S/c1-9(2)15(6-4-5-13)20(18,19)10-7-11(12(16)17)14(3)8-10/h7-9H,4,6H2,1-3H3,(H,16,17)