ethyl 3-[[3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]carbonyl-methylsulfonyl-amino]benzoate

Systemtic Name: ethyl 3-[[3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]carbonyl-methylsulfonyl-amino]benzoate Openeye Name: ethyl 3-[[3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]benzoyl]-methylsulfonyl-amino]benzoate CAS Name: 3-[[[3-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]phenyl]-oxomethyl]-methylsulfonylamino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]benzoyl]-methylsulfonylamino]benzoate Traditional Name: 3-[[3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]benzoyl]-mesyl-amino]benzoic acid ethyl ester Formula: C23H24BrN3O5S MolecularWeight: 534.42276

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)N(C(=O)C2=CC(=CC=C2)CN3C(=C(C(=N3)C)Br)C)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)N(C(=O)C2=CC(=CC=C2)CN3C(=C(C(=N3)C)Br)C)S(=O)(=O)C

InChI

InChI=1S/C23H24BrN3O5S/c1-5-32-23(29)19-10-7-11-20(13-19)27(33(4,30)31)22(28)18-9-6-8-17(12-18)14-26-16(3)21(24)15(2)25-26/h6-13H,5,14H2,1-4H3