N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-[(2,5-dimethylphenoxy)methyl]-3H-benzimidazole-5-sulfonamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-[(2,5-dimethylphenoxy)methyl]-3H-benzimidazole-5-sulfonamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-[(2,5-dimethylphenoxy)methyl]-3H-benzimidazole-5-sulfonamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-[(2,5-dimethylphenoxy)methyl]-3H-benzimidazole-5-sulfonamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(2,5-dimethylphenoxy)methyl]-3H-benzimidazole-5-sulfonamide Traditional Name: 2-[(2,5-dimethylphenoxy)methyl]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3H-benzimidazole-5-sulfonamide Formula: C27H27N5O4S MolecularWeight: 517.59938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCC2=NC3=C(N2)C=C(C=C3)S(=O)(=O)NC4=C(N(N(C4=O)C5=CC=CC=C5)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCC2=NC3=C(N2)C=C(C=C3)S(=O)(=O)NC4=C(N(N(C4=O)C5=CC=CC=C5)C)C

InChI

InChI=1S/C27H27N5O4S/c1-17-10-11-18(2)24(14-17)36-16-25-28-22-13-12-21(15-23(22)29-25)37(34,35)30-26-19(3)31(4)32(27(26)33)20-8-6-5-7-9-20/h5-15,30H,16H2,1-4H3,(H,28,29)