(E)-but-2-enedioic acid; N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-methylsulfonyl-aniline

Systemtic Name: (E)-but-2-enedioic acid; N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-methylsulfonyl-aniline Openeye Name: N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-methylsulfonyl-aniline; fumaric acid CAS Name: (E)-2-butenedioic acid; N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-methylsulfonylaniline IUPAC Name: (E)-but-2-enedioic acid; N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-methylsulfonylaniline Traditional Name: fumaric acid; 2-imidazolin-2-ylmethyl-(2-mesylphenyl)amine Formula: C15H19N3O6S MolecularWeight: 369.39286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15N3O2S.C4H4O4/c1-17(15,16)10-5-3-2-4-9(10)14-8-11-12-6-7-13-11;5-3(6)1-2-4(7)8/h2-5,14H,6-8H2,1H3,(H,12,13);1-2H,(H,5,6)(H,7,8)/b;2-1+