4-[bis(cyanomethyl)sulfamoyl]-1-propan-2-yl-pyrrole-2-carboxylic acid

Systemtic Name: 4-[bis(cyanomethyl)sulfamoyl]-1-propan-2-yl-pyrrole-2-carboxylic acid Openeye Name: 4-[bis(cyanomethyl)sulfamoyl]-1-isopropyl-pyrrole-2-carboxylic acid CAS Name: 4-[bis(cyanomethyl)sulfamoyl]-1-propan-2-yl-2-pyrrolecarboxylic acid IUPAC Name: 4-[bis(cyanomethyl)sulfamoyl]-1-propan-2-ylpyrrole-2-carboxylic acid Traditional Name: 4-[bis(cyanomethyl)sulfamoyl]-1-isopropyl-pyrrole-2-carboxylic acid Formula: C12H14N4O4S MolecularWeight: 310.32896

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C=C1C(=O)O)S(=O)(=O)N(CC#N)CC#N

Isomeric SMILES

CC(C)N1C=C(C=C1C(=O)O)S(=O)(=O)N(CC#N)CC#N

InChI

InChI=1S/C12H14N4O4S/c1-9(2)16-8-10(7-11(16)12(17)18)21(19,20)15(5-3-13)6-4-14/h7-9H,5-6H2,1-2H3,(H,17,18)