2-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)ethanamide Openeye Name: 2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-N-(4-morpholinosulfonylphenyl)acetamide CAS Name: 2-(4-bromo-3,5-dimethyl-1-pyrazolyl)-N-[4-(4-morpholinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide Traditional Name: 2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-N-(4-morpholinosulfonylphenyl)acetamide Formula: C17H21BrN4O4S MolecularWeight: 457.34204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C)Br

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C)Br

InChI

InChI=1S/C17H21BrN4O4S/c1-12-17(18)13(2)22(20-12)11-16(23)19-14-3-5-15(6-4-14)27(24,25)21-7-9-26-10-8-21/h3-6H,7-11H2,1-2H3,(H,19,23)