4-[(3R)-5-(1,3-benzodioxol-5-yl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]-3-methyl-1-phenyl-pyrazole

Systemtic Name: 4-[(3R)-5-(1,3-benzodioxol-5-yl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]-3-methyl-1-phenyl-pyrazole Openeye Name: 4-[(3R)-5-(1,3-benzodioxol-5-yl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]-3-methyl-1-phenyl-pyrazole CAS Name: 4-[(3R)-5-(1,3-benzodioxol-5-yl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]-3-methyl-1-phenylpyrazole IUPAC Name: 4-[(3R)-5-(1,3-benzodioxol-5-yl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]-3-methyl-1-phenylpyrazole Traditional Name: 4-[(3R)-5-(1,3-benzodioxol-5-yl)-2-mesyl-2-pyrazolin-3-yl]-3-methyl-1-phenyl-pyrazole Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C2CC(=NN2S(=O)(=O)C)C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C=C1[C@H]2CC(=NN2S(=O)(=O)C)C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C21H20N4O4S/c1-14-17(12-24(22-14)16-6-4-3-5-7-16)19-11-18(23-25(19)30(2,26)27)15-8-9-20-21(10-15)29-13-28-20/h3-10,12,19H,11,13H2,1-2H3/t19-/m1/s1