ethanedioic acid; N-[3-(1H-imidazol-5-ylmethyl)-2,5-dimethyl-phenyl]methanesulfonamide

Systemtic Name: ethanedioic acid; N-[3-(1H-imidazol-5-ylmethyl)-2,5-dimethyl-phenyl]methanesulfonamide Openeye Name: N-[3-(1H-imidazol-5-ylmethyl)-2,5-dimethyl-phenyl]methanesulfonamide; oxalic acid CAS Name: N-[3-(1H-imidazol-5-ylmethyl)-2,5-dimethylphenyl]methanesulfonamide; oxalic acid IUPAC Name: N-[3-(1H-imidazol-5-ylmethyl)-2,5-dimethylphenyl]methanesulfonamide; oxalic acid Traditional Name: N-[3-(1H-imidazol-5-ylmethyl)-2,5-dimethyl-phenyl]methanesulfonamide; oxalic acid Formula: C15H19N3O6S MolecularWeight: 369.39286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)NS(=O)(=O)C)C)CC2=CN=CN2.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C(=C1)NS(=O)(=O)C)C)CC2=CN=CN2.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H17N3O2S.C2H2O4/c1-9-4-11(6-12-7-14-8-15-12)10(2)13(5-9)16-19(3,17)18;3-1(4)2(5)6/h4-5,7-8,16H,6H2,1-3H3,(H,14,15);(H,3,4)(H,5,6)