(E)-but-2-enedioic acid; 2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)-N-methyl-benzenesulfonamide

Systemtic Name: (E)-but-2-enedioic acid; 2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)-N-methyl-benzenesulfonamide Openeye Name: 2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)-N-methyl-benzenesulfonamide; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)-N-methylbenzenesulfonamide IUPAC Name: (E)-but-2-enedioic acid; 2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)-N-methylbenzenesulfonamide Traditional Name: fumaric acid; 2-(2-imidazolin-2-ylmethylamino)-N-methyl-benzenesulfonamide Formula: C15H20N4O6S MolecularWeight: 384.4075

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC=CC=C1NCC2=NCCN2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CNS(=O)(=O)C1=CC=CC=C1NCC2=NCCN2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C11H16N4O2S.C4H4O4/c1-12-18(16,17)10-5-3-2-4-9(10)15-8-11-13-6-7-14-11;5-3(6)1-2-4(7)8/h2-5,12,15H,6-8H2,1H3,(H,13,14);1-2H,(H,5,6)(H,7,8)/b;2-1+