1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]-2-(4-fluoranylphenoxy)ethanone

Systemtic Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]-2-(4-fluoranylphenoxy)ethanone Openeye Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]-2-(4-fluorophenoxy)ethanone CAS Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethyl-1-pyrazolyl]-2-(4-fluorophenoxy)ethanone IUPAC Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-2-(4-fluorophenoxy)ethanone Traditional Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]-2-(4-fluorophenoxy)ethanone Formula: C22H22FN3O4S MolecularWeight: 443.491183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)COC2=CC=C(C=C2)F)C)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=C(C(=NN1C(=O)COC2=CC=C(C=C2)F)C)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H22FN3O4S/c1-15-22(31(28,29)25-12-11-17-5-3-4-6-18(17)13-25)16(2)26(24-15)21(27)14-30-20-9-7-19(23)8-10-20/h3-10H,11-14H2,1-2H3