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

Systemtic Name: 4-[bis(2-cyanoethyl)sulfamoyl]-1-methyl-pyrrole-2-carboxylic acid Openeye Name: 4-[bis(2-cyanoethyl)sulfamoyl]-1-methyl-pyrrole-2-carboxylic acid CAS Name: 4-[bis(2-cyanoethyl)sulfamoyl]-1-methyl-2-pyrrolecarboxylic acid IUPAC Name: 4-[bis(2-cyanoethyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid Traditional Name: 4-[bis(2-cyanoethyl)sulfamoyl]-1-methyl-pyrrole-2-carboxylic acid Formula: C12H14N4O4S MolecularWeight: 310.32896

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)O)S(=O)(=O)N(CCC#N)CCC#N

Isomeric SMILES

CN1C=C(C=C1C(=O)O)S(=O)(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C12H14N4O4S/c1-15-9-10(8-11(15)12(17)18)21(19,20)16(6-2-4-13)7-3-5-14/h8-9H,2-3,6-7H2,1H3,(H,17,18)