3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(2-methylquinolin-6-yl)-N-methylsulfonyl-benzamide

Systemtic Name: 3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(2-methylquinolin-6-yl)-N-methylsulfonyl-benzamide Openeye Name: 3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(2-methyl-6-quinolyl)-N-methylsulfonyl-benzamide CAS Name: 3-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-N-(2-methyl-6-quinolinyl)-N-methylsulfonylbenzamide IUPAC Name: 3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methylquinolin-6-yl)-N-methylsulfonylbenzamide Traditional Name: 3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-mesyl-N-(2-methyl-6-quinolyl)benzamide Formula: C24H23BrN4O3S MolecularWeight: 527.43342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C=C(C=C2)N(C(=O)C3=CC(=CC=C3)CN4C(=C(C(=N4)C)Br)C)S(=O)(=O)C

Isomeric SMILES

CC1=NC2=C(C=C1)C=C(C=C2)N(C(=O)C3=CC(=CC=C3)CN4C(=C(C(=N4)C)Br)C)S(=O)(=O)C

InChI

InChI=1S/C24H23BrN4O3S/c1-15-8-9-19-13-21(10-11-22(19)26-15)29(33(4,31)32)24(30)20-7-5-6-18(12-20)14-28-17(3)23(25)16(2)27-28/h5-13H,14H2,1-4H3