(2-imidazol-1-ylpyrimidin-5-yl)-[4-(4-pyridin-4-ylsulfonylphenyl)phenyl]methanone; methanesulfonic acid

Systemtic Name: (2-imidazol-1-ylpyrimidin-5-yl)-[4-(4-pyridin-4-ylsulfonylphenyl)phenyl]methanone; methanesulfonic acid Openeye Name: (2-imidazol-1-ylpyrimidin-5-yl)-[4-[4-(4-pyridylsulfonyl)phenyl]phenyl]methanone; methanesulfonic acid CAS Name: [2-(1-imidazolyl)-5-pyrimidinyl]-[4-(4-pyridin-4-ylsulfonylphenyl)phenyl]methanone; methanesulfonic acid IUPAC Name: (2-imidazol-1-ylpyrimidin-5-yl)-[4-(4-pyridin-4-ylsulfonylphenyl)phenyl]methanone; methanesulfonic acid Traditional Name: (2-imidazol-1-ylpyrimidin-5-yl)-[4-[4-(4-pyridylsulfonyl)phenyl]phenyl]methanone; mesylic acid Formula: C26H21N5O6S2 MolecularWeight: 563.60484

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1=CC(=CC=C1C2=CC=C(C=C2)S(=O)(=O)C3=CC=NC=C3)C(=O)C4=CN=C(N=C4)N5C=CN=C5

Isomeric SMILES

CS(=O)(=O)O.C1=CC(=CC=C1C2=CC=C(C=C2)S(=O)(=O)C3=CC=NC=C3)C(=O)C4=CN=C(N=C4)N5C=CN=C5

InChI

InChI=1S/C25H17N5O3S.CH4O3S/c31-24(21-15-28-25(29-16-21)30-14-13-27-17-30)20-3-1-18(2-4-20)19-5-7-22(8-6-19)34(32,33)23-9-11-26-12-10-23;1-5(2,3)4/h1-17H;1H3,(H,2,3,4)