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

Systemtic Name: (E)-but-2-enedioic acid; N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-fluoranyl-2-methylsulfonyl-aniline Openeye Name: N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-fluoro-2-methylsulfonyl-aniline; fumaric acid CAS Name: (E)-2-butenedioic acid; N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-fluoro-2-methylsulfonylaniline IUPAC Name: (E)-but-2-enedioic acid; N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-fluoro-2-methylsulfonylaniline Traditional Name: (4-fluoro-2-mesyl-phenyl)-(2-imidazolin-2-ylmethyl)amine; fumaric acid Formula: C15H18FN3O6S MolecularWeight: 387.383323

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)F)NCC2=NCCN2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)F)NCC2=NCCN2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C11H14FN3O2S.C4H4O4/c1-18(16,17)10-6-8(12)2-3-9(10)15-7-11-13-4-5-14-11;5-3(6)1-2-4(7)8/h2-3,6,15H,4-5,7H2,1H3,(H,13,14);1-2H,(H,5,6)(H,7,8)/b;2-1+