3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-prop-2-ynyl-benzamide

Systemtic Name: 3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-prop-2-ynyl-benzamide Openeye Name: 3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(3,5-dimethylisoxazol-4-yl)sulfonyl-N-prop-2-ynyl-benzamide CAS Name: 3-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-N-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-N-prop-2-ynylbenzamide IUPAC Name: 3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-prop-2-ynylbenzamide Traditional Name: 3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(3,5-dimethylisoxazol-4-yl)sulfonyl-N-propargyl-benzamide Formula: C21H21BrN4O4S MolecularWeight: 505.38484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC(=C2)C(=O)N(CC#C)S(=O)(=O)C3=C(ON=C3C)C)C)Br

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC(=C2)C(=O)N(CC#C)S(=O)(=O)C3=C(ON=C3C)C)C)Br

InChI

InChI=1S/C21H21BrN4O4S/c1-6-10-26(31(28,29)20-14(3)24-30-16(20)5)21(27)18-9-7-8-17(11-18)12-25-15(4)19(22)13(2)23-25/h1,7-9,11H,10,12H2,2-5H3